Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
벤즈안트론
벤즈안트론 · 7H-벤츠[de]안트라센-7-원 · benz[de]anthracen-7-one · Benzanthone · BENZANTHRONE · Benzoanthrone · Benzanthrenone · naphthanthrone
식별자 및 물리적 특성
| CAS No. | 82-05-3 |
|---|---|
| 분자식 | C17H10O |
| 평균 분자량 | 230.26 g/mol |
| 단동위원소 질량 | 230.07316494 g/mol |
| SMILES | O=C1c2ccccc2-c2cccc3cccc1c23 |
| InChIKey | HUKPVYBUJRAUAG-UHFFFAOYSA-N |
| PubChem CID | 6697 |
| ChEMBL | CHEMBL1607517 |
| ChEBI | CHEBI:93350 |
| EC No. | 201-393-3 |
| DTXSID | DTXSID8052566 |
| 현지명 | 벤즈안트론 |
화학 및 물리적 성질
| XLogP | 4.3 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 18 |
| 형식 전하 | 0 |
| 복잡도 | 348 |
| Polymers | Other Classes -> Polycyclic Aromatic Hydrocarbons |
| SpringerMaterials Properties | Boiling point |
| Color/Form | PALE YELLOW NEEDLES FROM XYLENE OR ALCOHOL |
| 용해도 | @ 20 °C: 0.52 G IN 100 G GLACIAL ACETIC ACID@ 20 °C: 1.61 G IN 100 G BENZENE@ 20 °C: 2.05 G IN 100 G CHLOROBENZENESOL IN ALCOHOL & OTHER ORG SOLVENTS클로로포름(약간 용해됨), 메탄올(약간 용해됨, 초음파처리) |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 녹는점 | 338 °F (NTP, 1992)170 °C168-170 °C(lit.) |
| 증기압 | 1 mmHg at 437 °F40 mmHg at 662.0 °F (NTP, 1992)0.00000022 [mmHg] |
| Physical Description | Benzanthrone appears as yellow needles. (NTP, 1992)Pale yellow solid[Merck Index] Light yellow powder[Alfa Aesar MSDS] |
| Collision Cross Section | 145.71 Ų [M+H]+ [CCS Type: DTMethod: stepped-field]144 Ų [M+H]+ |
| Other Experimental Properties | SOLN IN SULFURIC ACID IS ORANGE WITH GREEN FLUORESCENCE |
| 끓는 점 | 332.25°C (rough estimate) |
| 밀도 | 1.0929 (rough estimate) |
| 굴절률 | 1.5000 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 고체 |
| 색상 | 밝은 노란색에서 노란색까지 |
| Merck | 14,1063 |
| BRN | 1455646 |
| 헨리 상수 | 1.5×102 mol/(m3Pa) at 25℃, HSDB (2015) |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. |
| NIST | Benzanthone(82-05-3) |
| EPA | Benzanthrone (82-05-3) |
화학적 성질
light yellow powder
안전 및 규제
| GHS 분류 | WarningH315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: Symptoms of exposure to this compound may include eye, skin, upper respiratory and mucous membrane irritation. |
| 유해성 요약 | Low acute but high sub-chronic toxicity in rats, mice, and rabbits manifesting by damage to blood and liverHistopathological and biochemical changes observed in blood, liver, testes, kidneys, and urinary bladder in 30-day feeding study of guinea pigs[HSDB] May cause irritation to eyes, skin, upper respiratory tract, and mucous membranes[CAMEO] A mild skin and moderate eye irritantCauses changes in hepatic microsomal mixed oxidase, other transferases, and other enzymes when applied to skin of mice intermittently for 34 weeksCauses impaired liver function, changes in liver and bladder weight, and changes in erythrocyte count in 30 and 90 day intermittent oral studies of rats[RTECS] A skin and severe eye irritant[Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS. |
| 반응성 그룹 | Hydrocarbons, Aromatic |
| Special Reports | WENS EJ, WARD DMREVIEW OF THE TOXICOLOGY OF COLORED CHEMICAL SMOKES AND COLORED SMOKE DYESUS NTIS, AD/A REP 003827/3GA, 72 PP (1974). THIS REPORT IS A REVIEW OF THE INHALATION (TOTAL-BODY-EXPOSURE) STUDIES PERFORMED BY THE EDGEWOOD ARSENAL LAB DURING 1966 WITH THE M18 SERIES OF COLORED SMOKES.DACRE JC ET ALREPORT USAMBRDL-TR-7704ORDER NO AD-A090631 101 PP (1979). A DATA BASE AND SUMMARY OF PHYSICAL/CHEMICAL PROPERTIES, ANALYTICAL METHODS, MAMMALIAN TOXICOLOGY, ENVIRONMENTAL CONSIDERATIONS, AND STANDARDS, WHERE AVAILABLE, ARE PROVIDED FOR BENZANTHRONE. |
| Reactivity Profile | BENZANTHRONE is incompatible with nitrobenzene and potassium hydroxide. It is also incompatible with strong oxidizing agents. (NTP, 1992) |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
| Hazard Classes and Categories | Skin Irrit. 2 (97.7%) |
| Explosive Limits and Potential | Accidental substitution of nitrobenzene for aniline as diluent during large-scale fusion of benzanthrone with potassium hydroxide caused a violent explosion. |
| 소화 | Fires involving this material can be controlled with water spray, a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | EYES: 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. |
| 비화재 누출 대응 | SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol 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 방법 | SRP: At the time of review, 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. |
| Isolation and Evacuation | Excerpt 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 an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| 상호 작용 | PROBLEMS OF THE CUMULATIVE ACTION OF BENZANTHRONE WITH OTHER TOXIC CMPD (SODIUM HYDROXIDE, BR, HYDROGEN CHLORIDE, AND ISOBUTANOL) ARE DISCUSSED. |
| 환경 거동 | TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 9.8X10+3(SRC), determined from an experimental log Kow(2) and a recommended regression-derived equation(3), indicates that benzanthrone will have no mobility in soil(SRC). Volatilization of benzanthrone will not be important from moist soil surfaces(SRC) given an estimated Henry's Law constant of 6.61X10-8 atm-cu m/mole(4,SRC), and from dry soil surfaces(SRC) based on an estimated vapor pressure of 2.21X10-7 mm Hg(5,SRC).AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 1.5X10+6(SRC), determined from an experimental log Kow(2) and a recommended regression-derived equation(3), indicates that benzanthrone would adsorb to suspended solids and sediment(SRC) in water. Benzanthrone will not volatilize from water surfaces based on an estimated Henry's Law constant of 6.61X10-8 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Estimated half-lives for a model river and model lake are 840 and 6116 days, respectively(3,SRC). According to a classification scheme(5), an experimental BCF value of 181(2) suggests that benzanthrone will bioconcentrate moderately in aquatic organisms(SRC).ATMOSPHERIC FATE: According to a suggested classification scheme(1), an estimated vapor pressure of 2.21X10-7 mm Hg at 25 °C(2,SRC) indicates that benzanthrone will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase benzanthrone 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 about 21 hours(3,SRC). Particulate-phase benzanthrone may be physically removed from the air by wet and dry deposition(SRC). |
| 유해 작용 | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| Effluent Concentrations | Benzanthrone has been detected but not quantified in National Bureau of Standards, Standard Reference Material 1650 (particulates from heavy duty diesel engines)(1), passenger car diesel exhaust particulates(2,3), other diesel engine exhaust particulates(4,7), municipal waste incinerator fly ash(4,5,7), and wood and coal smoke(4,6,7). In smoke from a forest fire, benzanthrone was the major oxo PAH component, present at 4.4 ug per cu m(8). Smoke from a horizontally baffeled residential wood-burning stove burning birch produced between 490 and 741 ug per kg of wood burned, while a stoker-fed furnace burning barley straw produced between 69 and 166 ug per kg straw burned(9). Smoke from hot styrene-butadiene rubber produced 6500 ug per kg rubber(10). Benzanthrone is also present in spent chlorination liquor from bleaching of sulfite pulp at 0.4-0.6 g per ton pulp depending on the conditions(11). |
| Medical Surveillance | /ALL/ PERSONS /ESPECIALLY THOSE/ WITH FAIR SKIN ... & PERSONS WITH SKIN DISEASES /SRP: SHOULD BE PROTECTED FROM EXPOSURE TO BENZANTHRONE/.EMPLOYMENT OF PERSONS WITH LIVER, DIGESTIVE SYSTEM &, ESP GASTRIC, DISEASES /SRP: MUST BE PROTECTED FROM BENZANTHRONE EXPOSURE/. |
| Soil Adsorption/Mobility | The Koc of benzanthrone is estimated as approximately 1.22X10+4(SRC), using an experimental log Kow of 4.81(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that benzanthrone is immobile in soil(SRC). |
| Natural Pollution Sources | Benzanthrone is a product of wood and coal combustion and will be present in the smoke from naturally produced combustion such as forest fires(1-4). Benzanthrone appears to be a metabolite of diesel oil when incubated in soil(5), and may be present in soils contaminated with diesel oil(SRC). |
| Atmospheric Concentrations | URBAN/SUBURBAN: Benzanthrone was found in the ambient air in Portland, OR (Feb-Apr 1984, Feb-Mar 1985) at 1.7 ng per cu m adsorbed onto particles trapped by a glass fiber filter and 0.067 ng per cu m in the gas phase (trapped by a polyurethane foam plug or Tenax trap)(1). Benzanthrone was also found on particulate matter (less than 2.1 um) in the ambient air in the Los Angeles area(2). Samples were taken over a 24-hour period at 6-day intervals during 1982. The results showed the following: West Los Angeles (0.62 ng per cu m), downtown (0.81 ng per cu m), Pasadena (0.84 ng per cu m), Rubidom (0.24 ng per cu m). Extracts of particulate samples collected by the National Air Sampling Network January-June 1966 from 50 cities in 45 states and the District of Columbia showed a concentration range of 0.9-13 ng per cu m(3). Samples of air borne particulates taken at 5 locations in Toronto, Ontario, Canada during 1972 and 1973 showed an average summer concentration of 30.5 ug per g particulate and winter concentration of 39.1 ug per g particulate(4). In Duisburg, Germany, particulate samples collected from ambient air in February-April 1982 contained 0.46-3.66 ng per cu m(5). Particulate samples collected in Barcelona, Spain during spring (March 16-22, 1989), summer (June 27-July 7, 1989), fall (November 6-13, 1989), and winter (February 5-12, 1990) showed concentrations of 15, 722, 282, and 30 pg per cu m, respectively(6). The pattern of higher concentrations during the summer and fall was not seen with most other polynuclear aromatic hydrocarbons (PAH) or PAH ketones detected in this studythese molecules generally showed higher concentrations in winter. Benzanthrone was also detected but not quantified in the air over Elverum, Norway(7).RURAL/REMOTE: Samples of air borne particulates taken over a 24-hour period at 6-day intervals during 1982 over San Nicholas Island off the coast of Southern California showed average benzanthrone concentrations of less than 0.01 ng per cu m(1). By contrast, aerosols collected over the southern North Atlantic Ocean contained 0.45 ng per cu m(2). |
| Human Toxicity Excerpts | PERSONS WITH...EXPOSURE...BETWEEN MONTHS & YEARS COMPLAIN OF LOSS OF APPETITE, INTOLERANCE OF FATTY FOODS, FATIGUE & WEAKNESS. COMPLAINTS OF DECR IN SEXUAL POTENCY...OFTEN OBJECTIVE WT LOSS &...REPORTS OF NEURASTHENIC SYNDROME, CHANGES IN CORNEAL & CREMASTER REFLEXES...ACCELERATED PULSE & REDUCED BLOOD PRESSURE...MOST COMMON HAZARD...IS SKIN SENSITIZATION DUE TO EXPOSURE TO...DUST, ESP IN PERSONS...BLOND OR RED-HEADED. ...AFTER EXPOSURE OF BETWEEN FEW MO OR SEVERAL YR, SENSITIVE PERSONS DEVELOP ECZEMA WHICH MAY BE INTENSE IN ITS COURSE & ACUTE PHASE...MAY LEAVE HAZEL OR SLATE-GREY PIGMENTATION, ESP AROUND EYES.THERE HAVE...BEEN REPORTS OF LIVER FUNCTION IMPAIRMENT & GASTRITIS WITH DECR ACIDITY /IN PERSONS EXPOSED TO BENZANTHRONE FOR MONTHS OR YEARS/....HAZARD...ESP IN PERSONS WHO ARE BLOND OR RED-HEADED. ... SKIN DISORDERS DUE TO BENZANTHRONE ARE MORE FREQUENT IN WARM SEASON & ARE SIGNIFICANTLY AGGRAVATED BY HEAT & LIGHT.IT HAS BEEN FOUND POSSIBLE TO DECR INCIDENCE OF SKIN DISEASE BY LIMITING USE OF BENZANTHRONE TO COLDER SEASONS. |
| Fish/Seafood Concentrations | Benzanthrone was present at 8.8 ppb (wet tissue) in a composite bullhead catfish sample collected by the Fish and Wildlife Service from the Black River in Ohio(1). |
| Artificial Pollution Sources | DIESEL ENGINE SOOT CONTAINS BENZANTHRONE.Benzanthrone's production and use as an intermediate in the production of dyes(1) may result in its release to the environment through various waste streams(SRC). Benzanthrone has been detected in particulates from heavy duty diesel engines(2), passenger car diesel exhaust particulates(3,4), other diesel engine exhaust particulates(5,8), municipal waste incinerator fly ash(5,6,8), and wood and coal smoke(5,7,8) all of which enter the environment(SRC). |
| Environmental Biodegradation | Benzanthrone at 100 ppm degraded 0% using 30 ppm sludge after 4 weeks of incubation(1). Benzanthrone was not present the first week in soil treated with diesel oil then incubated, but appeared after the second week and persisted through the ninth week(2). After the thirteenth week, no benzanthrone could be detected. The authors suggested that benzanthrone was possibly a degradation product that was subsequently also degraded. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | CX5075000 |
| 독성 | LD50 in albino rabbits: >3 g/kg dermallyLD50 in rats, mice (g/kg): 1.5, 0.29 i.p. (Singh) |
| 관세 코드 | 29145090 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-37/39-37 |
| 기존화학 물질 | KE-02143 |
| 유해 물질 데이터 | 82-05-3(Hazardous Substances Data) |
용도
용도
Benzanthrone is reducing agent such as iron. Benzanthrone is an important intermediate for manufacturing vat dyes.
일반 설명
Yellow needles.