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HCID 11769생성일: 2026년 10월 27일

5-니트로아세나프텐

5-나이트로아세나프텐 · 5-니트로아세나프텐 · 5-Nan · NCI-C01967 · 5-Nitroace · Nitroacenaphthene · 5-Nitroacenapthene · 5-nitro-acenaphthen

https://huagongshe.com/ko/chemical/11769

5-니트로아세나프텐 분자 구조식

식별자 및 물리적 특성

CAS No.602-87-9
분자식C12H9NO2
평균 분자량199.2 g/mol
단동위원소 질량199.06332853 g/mol
SMILESO=[N+]([O-])c1ccc2c3c(cccc13)CC2
InChIKeyCUARLQDWYSRQDF-UHFFFAOYSA-N
PubChem CID11769
ChEMBLCHEMBL423081
ChEBICHEBI:82350
EC No.210-025-0
DTXSIDDTXSID3020960
현지명5-니트로아세나프텐

화학 및 물리적 성질

XLogP3.9
극성 표면적45.8
수소 결합 공여자 수0
수소 결합 수용자 수2
회전 가능 결합 수0
무거운 원자 수15
형식 전하0
복잡도273
물질 분류Carcinogens
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP(분배 계수)log Kow = 3.85
Color/FormSolid
용해도less than 1 mg/mL at 68 °F (NTP, 1992)Soluble in ethanol, ethyl ether, ligroinSoluble in hot waterIn water, 0.91 mg/L at 25 °C클로로포름 (약간 용해됨), DMSO (약간 용해됨)
DecompositionWhen heated to decomposition it emits toxic fumes of /nitrogen oxides/.
녹는점217 to 219 °F (NTP, 1992)103 °C100-101 °C(lit.)
증기압0.0000265 [mmHg]
Physical Description5-nitroacenaphthene is a yellow powder. (NTP, 1992)Yellow solid[CAMEO] Yellow powder[MSDSonline]
끓는 점279°C
밀도1.1919 (rough estimate)
굴절률1.5880 (estimate)
인화점279°C
저장 조건-20°C Freezer
물리적 상태고체
색상밝은 노란색에서 노란색까지
BRN1876864
헨리 상수9.0×100 mol/(m3Pa) at 25℃, HSDB (2015)
안정성안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
EPA5-Nitroacenaphthene (602-87-9)

화학적 성질

5-Nitroacenaphthene is a yellow crystalline solid.

안전 및 규제

GHS 분류DangerH350: May cause cancer [Danger Carcinogenicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)H350 (100%): May cause cancer [Danger Carcinogenicity]
규제 정보Hazard Traits - CarcinogenicityThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
운송 라벨(DOT)Poison
화재 위험Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
건강 유해성ACUTE/CHRONIC HAZARDS: There is clear evidence that this compound is an animal carcinogen. When heated to decomposition it emits toxic fumes of NOx. (NTP, 1992)
유해성 요약An irritant[MSDSonline] See 1-Nitropyrene.
반응성 그룹Hydrocarbons, Aromatic
Special ReportsWHOEnvironmental Health Criteria 229: Selected Nitro- and Nitro-Oxy-Polycyclic Aromatic Hydrocarbons (2003). EHC are designed for scientists and administrators responsible for the establishment of safety standards and regulations and provide basic scientific risk evaluations of a wide range of chemicals and groups of chemicals.[Available from, as of November 18, 2009: http://www.inchem.org/pages/ehc.html]Bioassay of 5-Nitroacenaphthene for Possible Carcinogenicity (1978) Technical Rpt Series No. 118 DHEW Pub No. (NIH) 78-1373, U.S. Department of Health Education and Welfare, National Cancer Institute, Bethesda, MD 20014
Reactivity ProfileAromatic nitro compounds, such as 5-NITROACENAPHTHENE, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.
Air and Water ReactionsInsoluble in water.

용도

용도

5-Nitroacenaphthene is a derivative of acenaphthene, a polycyclic hydrocarbon that has potential to act as polyploidizing agents in plants.

일반 설명

Yellow powder.

Hazard Classes and CategoriesCarc. 1B (100%)Carcinogenicity - category 1BCarcinogenicity - Category 2Carcinogens
Shipment Methods and RegulationsPRECAUTIONS FOR "CARCINOGENS": Procurement ... of unduly large amt ... should be avoided. To avoid spilling, carcinogens should be transported in securely sealed glass bottles or ampoules, which should themselves be placed inside strong screw-cap or snap-top container that will not open when dropped & will resist attack from the carcinogen. Both bottle & the outside container should be appropriately labelled. ... National post offices, railway companies, road haulage companies & airlines have regulations governing transport of hazardous materials. These authorities should be consulted before ... material is shipped. /Chemical Carcinogens/PRECAUTIONS FOR "CARCINOGENS": When no regulations exist, the following procedure must be adopted. The carcinogen should be enclosed in a securely sealed, watertight container (primary container), which should be enclosed in a second, unbreakable, leakproof container that will withstand chem attack from the carcinogen (secondary container). The space between primary & secondary container should be filled with absorbent material, which would withstand chem attack from the carcinogen & is sufficient to absorb the entire contents of the primary container in the event of breakage or leakage. Each secondary container should then be enclosed in a strong outer box. The space between the secondary container & the outer box should be filled with an appropriate quantity of shock-absorbent material. Sender should use fastest & most secure form of transport & notify recipient of its departure. If parcel is not received when expected, carrier should be informed so that immediate effort can be made to find it. Traffic schedules should be consulted to avoid ... arrival on weekend or holiday ... /Chemical Carcinogens/
소화Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
응급 처치EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
보관 조건PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/
정리 방법PRECAUTIONS FOR "CARCINOGENS": A high-efficiency particulate arrestor (HEPA) or charcoal filters can be used to minimize amt of carcinogen in exhausted air ventilated safety cabinets, lab hoods, glove boxes or animal rooms ... Filter housing that is designed so that used filters can be transferred into plastic bag without contaminating maintenance staff is avail commercially. Filters should be placed in plastic bags immediately after removal ... The plastic bag should be sealed immediately ... The sealed bag should be labelled properly ... Waste liquids ... should be placed or collected in proper containers for disposal. The lid should be secured & the bottles properly labelled. Once filled, bottles should be placed in plastic bag, so that outer surface ... is not contaminated ... The plastic bag should also be sealed & labelled. ... Broken glassware ... should be decontaminated by solvent extraction, by chemical destruction, or in specially designed incinerators. /Chemical Carcinogens/
비화재 누출 대응SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
처리 방법SRP: Criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.Carefully incinerate in an incinerator equipped with afterburner and scrubbers. Recommendable method: Incineration... (Peer-review conclusions of an IRPTC expert consultation (May 1985))PRECAUTIONS FOR "CARCINOGENS": There is no universal method of disposal that has been proved satisfactory for all carcinogenic compounds & specific methods of chem destruction ... published have not been tested on all kinds of carcinogen-containing waste. ... summary of avail methods & recommendations ... /given/ must be treated as guide only. /Chemical Carcinogens/PRECAUTIONS FOR "CARCINOGENS": ... Incineration may be only feasible method for disposal of contaminated laboratory waste from biological expt. However, not all incinerators are suitable for this purpose. The most efficient type ... is probably the gas-fired type, in which a first-stage combustion with a less than stoichiometric air:fuel ratio is followed by a second stage with excess air. Some ... are designed to accept ... aqueous & organic-solvent solutions, otherwise it is necessary ... to absorb soln onto suitable combustible material, such as sawdust. Alternatively, chem destruction may be used, esp when small quantities ... are to be destroyed in laboratory. /Chemical Carcinogens/For more Disposal Methods (Complete) data for 5-Nitroacenaphthene (7 total), please visit the HSDB record page.
Preventive MeasuresPRECAUTIONS FOR "CARCINOGENS": Smoking, drinking, eating, storage of food or of food & beverage containers or utensils, & the application of cosmetics should be prohibited in any laboratory. All personnel should remove gloves, if worn, after completion of procedures in which carcinogens have been used. They should ... wash ... hands, preferably using dispensers of liq detergent, & rinse ... thoroughly. Consideration should be given to appropriate methods for cleaning the skin, depending on nature of the contaminant. No standard procedure can be recommended, but the use of organic solvents should be avoided. Safety pipettes should be used for all pipetting. /Chemical Carcinogens/PRECAUTIONS FOR "CARCINOGENS": In animal laboratory, personnel should remove their outdoor clothes & wear protective suits (preferably disposable, one-piece & close-fitting at ankles & wrists), gloves, hair covering & overshoes. ... Clothing should be changed daily but ... discarded immediately if obvious contamination occurs ... /also,/ workers should shower immediately. In chemical laboratory, gloves & gowns should always be worn ... however, gloves should not be assumed to provide full protection. Carefully fitted masks or respirators may be necessary when working with particulates or gases, & disposable plastic aprons might provide addnl protection. If gowns are of distinctive color, this is a reminder that they should not be worn outside of lab. /Chemical Carcinogens/PRECAUTIONS FOR "CARCINOGENS": ... Operations connected with synth & purification ... should be carried out under well-ventilated hood. Analytical procedures ... should be carried out with care & vapors evolved during ... procedures should be removed. ... Expert advice should be obtained before existing fume cupboards are used ... & when new fume cupboards are installed. It is desirable that there be means for decreasing the rate of air extraction, so that carcinogenic powders can be handled without ... powder being blown around the hood. Glove boxes should be kept under negative air pressure. Air changes should be adequate, so that concn of vapors of volatile carcinogens will not occur. /Chemical Carcinogens/PRECAUTIONS FOR "CARCINOGENS": Vertical laminar-flow biological safety cabinets may be used for containment of in vitro procedures ... provided that the exhaust air flow is sufficient to provide an inward air flow at the face opening of the cabinet, & contaminated air plenums that are under positive pressure are leak-tight. Horizontal laminar-flow hoods or safety cabinets, where filtered air is blown across the working area towards the operator, should never be used ... Each cabinet or fume cupboard to be used ... should be tested before work is begun (eg, with fume bomb) & label fixed to it, giving date of test & avg air-flow measured. This test should be repeated periodically & after any structural changes. /Chemical Carcinogens/For more Preventive Measures (Complete) data for 5-Nitroacenaphthene (9 total), please visit the HSDB record page.
Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)PRECAUTIONS FOR "CARCINOGENS": ... Dispensers of liq detergent /should be available./ ... Safety pipettes should be used for all pipetting. ... In animal laboratory, personnel should ... wear protective suits (preferably disposable, one-piece & close-fitting at ankles & wrists), gloves, hair covering & overshoes. ... In chemical laboratory, gloves & gowns should always be worn ... however, gloves should not be assumed to provide full protection. Carefully fitted masks or respirators may be necessary when working with particulates or gases, & disposable plastic aprons might provide addnl protection. ... Gowns ... /should be/ of distinctive color, this is a reminder that they are not to be worn outside the laboratory. /Chemical Carcinogens/
환경 거동TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 8,000(SRC), determined from a log Kow of 3.9(2) and a regression-derived equation(3), indicates that 5-nitroacenaphthene is expected to be immobile in soil(SRC). Volatilization of 5-nitroacenaphthene from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.1X10-6 atm-cu m/mole(SRC), using a fragment constant estimation method(4). 5-Nitroacenaphthene is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 3.9X10-5 mm Hg at 25 °C(SRC), determined from a fragment constant method(5). Biodegradation data were not available(SRC, 2009).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 8,000(SRC), determined from a log Kow of 3.9(2) and a regression-derived equation(3), indicates that 5-nitroacenaphthene is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not be expected to be an important environmental fate process(4) based upon an estimated Henry's Law constant of 1.1X10-6 atm-cu m/mole(SRC), developed using a fragment constant estimation method(5). Using this Henry's Law constant and an estimation method(4), volatilization half-lives for a model river and model lake are 110 days and 780 days, respectively(SRC). Moreover volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 62 years if adsorption to soil and sediment is considered(6). According to a classification scheme(7), an estimated BCF of 160(SRC), from its log Kow(2) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is high, provided the compound is not metabolized by the organism(SRC). Biodegradation data were not available(SRC, 2009).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 5-nitroacenaphthene, which has an estimated vapor pressure of 3.9X10-5 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), will exist in both the vapor phase and particulate phase in the ambient atmosphere. Vapor-phase 5-nitroacenaphthene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be 1.9 days(SRC), calculated from its rate constant of 8.3X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase 5-nitroacenaphthene will be removed from the atmosphere by wet or dry deposition(SRC). 5-Nitroacenaphthene contains chromophores that absorb at wavelengths >290 nm(4) and therefore may be susceptible to direct photolysis by sunlight(SRC).
유해 작용IARC Carcinogen - Class 3: Chemicals are not classifiable by the International Agency for Research on Cancer.
Ongoing Test StatusThe following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical.[Available from: http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=602-87-9]
Medical SurveillancePRECAUTIONS FOR "CARCINOGENS": Whenever medical surveillance is indicated, in particular when exposure to a carcinogen has occurred, ad hoc decisions should be taken concerning ... /cytogenetic and/or other/ tests that might become useful or mandatory. /Chemical Carcinogens/
Soil Adsorption/MobilityThe Koc of 5-nitroacenaphthene is estimated as 8,000(SRC), using a log Kow of 3.9(1), and a regression-derived equation(2). According to a classification scheme(4), this estimated Koc value suggests that 5-nitroacenaphthene is expected to be immobile in soil.
Atmospheric ConcentrationsURBAN/SUBURBAN: 5-Nitroacenaphthene was detected in an unknown number of airborne samples in the atmosphere of Baltimore, Maryland in January 2001 at concentrations ranging from 0.35-0.71 pg/cu m and in July 2001 at concentrations ranging from 14-40 pg/cu m(1). 5-Nitroacenaphthene was also detected in an unknown number of airborne samples in the atmosphere of Fort Meade, Maryland in January 2001 at concentrations ranging from 0.16-0.30 pg/cu m and in July 2001 at concentrations ranging from 3.5-13 pg/cu m(1). 5-Nitroacenaphthene was detected in 4 out of 6 airborne samples in air and diesel particulates collected from Baltimore, Maryland at concentrations ranging from 1.7-37.0 ng/g(2).
Artificial Pollution Sources5-Nitroacenaphthene's presence in the atmosphere due to reactions of parent polyaromatic hydrocarbons released in various manufacturing processes(1) will result in its direct release to the environment. I(SRC).
Carcinogen Classification5-NitroacenaphtheneGroup 2B: Possibly carcinogenic to humansVolume 16: (1978) Some Aromatic Amines and Related Nitro Compounds – Hair Dyes, Colouring Agents and Miscellaneous Industrial Chemicals1987
Environmental BioconcentrationAn estimated BCF of 160 was calculated in fish for 5-nitroacenaphthene(SRC), using a log Kow of 3.9(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC), provided the compound is not metabolized by the organism(SRC).
Volatilization from Water/SoilThe Henry's Law constant for 5-nitroacenaphthene is estimated as 1.1X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 5-nitroacenaphthene is not expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 110 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 780 days(SRC). Moreover, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 62 years if adsorption to soil or sediment is considered(3). 5-Nitroacenaphthene's Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). 5-Nitroacenaphthene is not expected to volatilize from dry soil surfaces(SRC) based upon a an estimated vapor pressure of 4.1X10-5 mm Hg(SRC), determined from a fragment constant method(4).
Non-Human Toxicity Excerpts/LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ In a subchronic intermittent feeding study on rats, a dose of approximately 500 mg/kg bw per day resulted in reduced bw and increased mortality in females but not in males./LABORATORY ANIMALS: Chronic Exposure or Carcinogenicity/ ... 20 female DD mice were given twice weekly ip injections of 6 mg/kg bw ... in arachis oil for 18 mo. Of 15 surviving mice, 4 developed myeloid leukemias, 2 developed reticulum-cell sarcomas, and 1 mammary carcinoma. No tumors ... in 20 female controls./LABORATORY ANIMALS: Chronic Exposure or Carcinogenicity/ Of 24 weanling female and 10 male Syrian hamsters that received 1% 5-nitroacenaphthene in their diet continuously for 6 mo, 13 females survived 270 days after start ... and 7 developed cholangiomas. No tumors ... in 20 control females or in 7 treated male hamsters that survived more than 270 days./LABORATORY ANIMALS: Chronic Exposure or Carcinogenicity/ 30 weanling female Wistar rats were fed a 25% protein diet containing 1% 5-nitroacenaphthene for a total of 4 months (average daily intake, 200 mg/animal) ... 12 rats survived more than 200 days ... All surviving rats developed malignant tumors as follows: 1 rhabdomyosarcoma, 2 carcinomas of ear duct, 5 mammary carcinomas, and 10 adenocarcinomas of small intestine. No neoplasms were observed among 29 controls that survived more than 500 days.For more Non-Human Toxicity Excerpts (Complete) data for 5-Nitroacenaphthene (14 total), please visit the HSDB record page.
Evidence for Carcinogenicity5-Nitroacenaphthene is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity at multiple sites in multiple species of experimental animals.
수질 위해 등급(WGK)3
TSCA 등재 상태TSCA listed
RTECS 번호AB1060000
운송 번호(UN)2811
관세 코드29049090
위험 문구(R)45
위험 표시T,Xi
안전 문구(S)53-45
포장분류III
위험 등급6.1
위험 참고 사항Irritant
유해 물질 데이터602-87-9(Hazardous Substances Data)