홈MCP워크벤치Skills
홈워크벤치알림마이페이지
Huagongshe 오픈 프로젝트：[email protected]AI 접속: llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.7.8
돌아가기
Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 8794생성일: 2026년 10월 27일

Phenylacetonitrile

https://huagongshe.com/ko/chemical/8794

Phenylacetonitrile 분자 구조식

식별자 및 물리적 특성

CAS No.140-29-4
분자식C8H7N
평균 분자량117.15 g/mol
단동위원소 질량117.05784922 g/mol
SMILESN#CCc1ccccc1
InChIKeySUSQOBVLVYHIEX-UHFFFAOYSA-N
PubChem CID8794
ChEMBLCHEMBL3560735
ChEBICHEBI:25979
EC No.205-410-5
DTXSIDDTXSID2021492

화학 및 물리적 성질

XLogP1.6
극성 표면적23.8
수소 결합 공여자 수0
수소 결합 수용자 수1
회전 가능 결합 수1
무거운 원자 수9
형식 전하0
복잡도114
물질 분류Nitrogen Compounds -> Nitriles
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
향료Fragrance substance (Benzyl cyanide) -> IFRA amendment 38
LogP(분배 계수)log Kow = 1.561.47
냄새Aromatic odor
밀도1.0214 at 59 °F (EPA, 1998) - Denser than waterwill sink1.02051.0214 @ 15°C
Color/FormColorless oily liquid
용해도less than 1 mg/mL at 63 °F (NTP, 1992)Miscible with oxygenated solvents.SOL IN ALL PROP IN ALC, ETHERSOL IN ACETONEIn water, 100 mg/L at 25 °C0.1 mg/mL at 25 °C
인화점215 °F (NTP, 1992)102 °C102 °C (closed cup)235 °F (113 °C) (Open cup)
끓는 점451.4 °F at 760 mmHg (EPA, 1998)233.5 °C233.00 to 234.00 °C. @ 760.00 mm Hg233.5 °C @760 [mm Hg]
DecompositionWhen heated to decomposition it emits very toxic fumes of /hydrogen cyanide and nitrogen oxides/.
녹는점-10.8 °F (EPA, 1998)-23.8 °C

안전 및 규제

GHS 분류DangerH301 (88%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1715 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H301: Toxic if swallowed [Danger Acute toxicity, oral]
규제 정보Chemical: BenzeneacetonitrileList I Chemical: A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)Benzeneacetonitrile is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzeneacetonitrile are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 15-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/10522Benzyl cyanide: Does not have an individual approval but may be used under an appropriate group standardThe 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.)
기타 안전 정보IMAP assessments - Benzeneacetonitrile: Environment tier I assessment
운송 라벨(DOT)Poison
화재 위험When heated to decomposition, it emits very toxic fumes of cyanide and nitrogen oxides. Container may explode in heat of fire. Runoff from fire control water may give off poisonous gases. Avoid sodium hypochlorite. (EPA, 1998)· Combustible material: may burn but does not ignite readily.
건강 유해성Poisonous. May be fatal if inhaled, swallowed, or absorbed through skin. Contact may cause burns to skin and eyes. (EPA, 1998)· Highly toxic, may be fatal if inhaled, ingested or absorbed through skin.
유해성 요약A skin, eye, and mucous membrane irritant, possibly burning skin and eyes
Toxic by inhalation, ingestion, and skin absorption
[CAMEO] Highly toxic
Oral LD50 (mouse) = 45.5 mg/kg
Skin LD50 (rat) = 2000 mg/kg
[MSDSonline] See NITRILES.
운송 번호 및 가이드(DOT)2470 152
FDA 요건The following chemicals have been specifically designated by the Administrator of the Drug Enforcement Administration as the listed chemicals subject to the provisions of this part and parts 1309 and 1313 of this chapter. Each chemical has been assigned the DEA Chemical Code Number set forth opposite it. Benzyl cyanide (DEA Code: 8735) is included on this list.
반응성 그룹Nitriles
Reactivity ProfilePHENYLACETONITRILE can react with strong acids, strong bases, strong oxidizing agents and strong reducing agents. It may react vigorously with sodium hypochlorite. (NTP, 1992).
DOT Hazard ClassificationPhenylacetonitrile, liquidUN2470Div 6.1 Poisonous materials (49 eCFR § 173.132)PG III: the degree of danger presented by the material is minor
Air and Water ReactionsThis chemical is moisture sensitive. Insoluble in water.
소화Keep unnecessary people awayisolate hazard area and deny entry. Stay upwindkeep out of low areas. Ventilate closed spaces before entering them. Wear positive pressure breathing apparatus and special protective clothing. Remove and isolate contaminated clothing at the site.
누출 비상 조치· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
응급 처치Warning: Benzyl cyanide may be fatal if inhaled, swallowed, or absorbed through skin or mucous membranes. Caution is advised.General First Aid:
노출 관리 및 개인 보호· Wear positive pressure self-contained breathing apparatus (SCBA).
비화재 누출 대응Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
처리 방법...Combustion in an approved incinerator for a chemical waste.SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations.
Isolation and EvacuationExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:Immediate precautionary measure
Protective Action Criteria (PAC)0.39 [mg/m3]4.3 [mg/m3]15 [mg/m3]
Personal Protective Equipment (PPE)For emergency situations, wear a positive pressure, pressure-demand, full facepiece self-contained breathing apparatus (SCBA) or pressure- demand supplied air respirator with escape SCBA and a fully-encapsulating, chemical resistant suit. (EPA, 1998)
Emergency Response Planning GuidelinesSmall Fire
TreatmentAntidotes to cyanide poisoning include hydroxocobalamin and sodium nitrite, which release the cyanide from the cytochrome system, and rhodanase, which is an enzyme occurring naturally in mammals that combines serum cyanide with thiosulfate, producing comparatively harmless thiocyanate. Oxygen therapy can also be administered. (L97)
건강 영향Exposure to high levels of cyanide for a short time harms the brain and heart and can even cause coma, seizures, apnea, cardiac arrest and death. Chronic inhalation of cyanide causes breathing difficulties, chest pain, vomiting, blood changes, headaches, and enlargement of the thyroid gland. Skin contact with cyanide salts can irritate and produce sores. (L96, L97)
환경 거동TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 170(SRC), determined from a log Kow of 1.56(2) and a regression-derived equation(3), indicates that benzyl cyanide is expected to have moderate mobility in soil(SRC). Volatilization of benzyl cyanide from moist soil surfaces may be an important fate process(SRC) given an estimated Henry's Law constant of 1.4X10-4 atm-cu m/mole(4) derived from its vapor pressure, 8.9X10-2 mm Hg(5), and water solubility, 100 mg/L(6). Benzyl cyanide is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 8.9X10-2 mm Hg(SRC), determined from a fragment constant method(5). A 77% theoretical BOD in 2 weeks using an activated sludge inoculum and the MITI test(6) indicates that biodegradation may be an important environmental fate process in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 170(SRC), determined from a log Kow of 1.56(2) and a regression-derived equation(3), indicates that benzyl cyanide may adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.4X10-4 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4) derived from its vapor pressure, 8.9X10-2 mm Hg(5), and water solubility, 100 mg/L(6). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 5.7 hours and 6.4 days, respectively(SRC). According to a classification scheme(7), an estimated BCF of 9(SRC), from its log Kow(2) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is low(SRC). A 77% theoretical BOD in 2 weeks using an activated sludge inoculum and the MITI test(6) indicates that biodegradation may be an important environmental fate process in water(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), benzyl cyanide , which has a vapor pressure of 8.9X10-2 mm Hg at 25 °C(SRC)(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase benzyl cyanide 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 7.8 days(SRC), calculated from its rate constant of 2.1X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Benzyl cyanide does not contain chromophores that would be expected to absorb light at wavelengths >290 nm and would not be expected to be susceptible to direct photolysis by sunlight(SRC).
식품 조사 수치Benzyl cyanide was detected in concentrations ranging from 0.1 ug/kg in the leg to 8 ug/kg in the carapace of steamed crab meat(1). Benzyl cyanide was detected, not quantified in beef(2).
유해 작용Other Poison - Chemical Asphyxiant
노출 경로Oral (L96)inhalation (L96)dermal (L96)
독성 요약Organic nitriles decompose into cyanide ions both in vivo and in vitro. Consequently the primary mechanism of toxicity for organic nitriles is their production of toxic cyanide ions or hydrogen cyanide. Cyanide is an inhibitor of cytochrome c oxidase in the fourth complex of the electron transport chain (found in the membrane of the mitochondria of eukaryotic cells). It complexes with the ferric iron atom in this enzyme. The binding of cyanide to this cytochrome prevents transport of electrons from cytochrome c oxidase to oxygen. As a result, the electron transport chain is disrupted and the cell can no longer aerobically produce ATP for energy. Tissues that mainly depend on aerobic respiration, such as the central nervous system and the heart, are particularly affected. Cyanide is also known produce some of its toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydroxocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinic dehydrogenase, and Cu/Zn superoxide dismutase. Cyanide binds to the ferric ion of methemoglobin to form inactive cyanmethemoglobin. (L97)
Plant ConcentrationsBenzyl cyanide was detected but not quantified in kiwi fruit flowers(1). Benzyl cyanide occurs in garden cress and other plants(2).
Signs and SymptomsCyanide poisoning is identified by rapid, deep breathing and shortness of breath, general weakness, giddiness, headaches, vertigo, confusion, convulsions/seizures and eventually loss of consciousness. (L96, L97)
Soil Adsorption/MobilityThe Koc of benzyl cyanide is estimated as 170(SRC), using a log Kow of 1.56(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that benzyl cyanide is expected to have moderate mobility in soil.
Natural Pollution SourcesBenzyl cyanide was detected in kiwi fruit flowers(1), and it occurs in garden cress and other plants(2). Benzyl cyanide has also been found in beef(3) and crab meat(4).
Artificial Pollution SourcesBenzyl cyanide's production and use in organic synthesis as a precusor to penicillin(1) and as a component of tar creosote(2), may result in its release to the environment through various waste streams(SRC).
CERCLA 보고 수량Releases of CERCLA hazardous substances are subject to the release reporting requirement of CERCLA section 103, codified at 40 CFR part 302, in addition to the requirements of 40 CFR part 355. Benzyl cyanide is an extremely hazardous substance (EHS) subject to reporting requirements when stored in amounts in excess of its threshold planning quantity (TPQ) of 500 lbs.
신호 어Danger
유해·위험 문구암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H330