기본 정보
- 표준 SMILES
O=C(Cl)Cc1ccccc1- InChIKey
VMZCDNSFRSVYKQ-UHFFFAOYSA-N- 분자식
- C8H7ClO
- 평균 분자량
- 154.59 g/mol
- 단동위원소 질량
- 154.01854252
개요
Phenylacetyl chloride appears as a colorless volatile liquid with a strong odor. Denser than water. Contact may severely irritate skin, eyes and mucous membranes. May be toxic by ingestion. May also be combustible.
이름 및 식별자
- 우선 이름
- Phenylacetyl chloride
- IUPAC
- 2-phenylacetyl chloride
- 현지명
- 페닐초산클로라이드
- 영어명
- Phenylacetyl chloride
- 분자식
- C8H7ClO
- 분자량
- 154.59
이름 및 동의어
PHENYLACETYL CHLORIDEBenzeneacetyl chloride2-phenylacetyl chloridePhenacetyl chloridePhenylacetic acid chlorideAcetyl chloride, phenyl-UN2577PHENYLACETIC CHLORIDEEINECS 203-146-5UNII-T30899DRND.alpha.-Phenylacetyl chlorideCCRIS 8623
이름 더 보기
페닐아세틸염화물페닐초산클로라이드페닐아세틸염화물phenylacetyl-Toluylchloride-ToluylchlorideA-TOLUYL CHLORIDEAKOS BBS-00003909ylacetyl chloridePhenyl acetyl chlori
T30899DRNDAI3-23871DTXSID6059281UN 2577UN-2577alpha-Phenylacetyl chloride2Phenylacetyl chlorideCloruro de fenilacetilo
데이터베이스 식별자
- CAS
103-80-0- PubChem CID
- 7679
- DTXSID
DTXSID6059281- UNII
- T30899DRND
- EC Number
- 203-146-5
- Nikkaji
- J5.021K
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 116
실험 및 물리화학적 성질
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Corrosives
SpringerMaterials PropertiesBoiling point
Physical Description
Phenylacetyl chloride appears as a colorless volatile liquid with a strong odor. Denser than water. Contact may severely irritate skin, eyes and mucous membranes. May be toxic by ingestion. May also be combustible.
Colorless liquid with a strong odor; [CAMEO] Clear light yellow liquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 264 · 264-266 °C(Solv: N,N-dimethylformamide (68-12-2))
- 끓는 점
- 94 · 94-95 °C/12 mmHg (lit.)
- 밀도
- 1.169 g/mL · 1.169 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.5325(lit.)
- 인화점
- 217 °F · 217 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 알코올 및 에테르와 혼합 가능.
- 물리적 상태
- 투명한 액체
- 색상
- 무색~연황색
- BRN
- 742254 · 742254
- 안정성
- 안정적인. 물과 반응합니다. 아민, 가장 일반적인 금속, 습기, 강한 산화제와 호환되지 않습니다.
- InChI
- 1S/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2
- InChIKey
- VMZCDNSFRSVYKQ-UHFFFAOYSA-N
- SMILES
- ClC(=O)Cc1ccccc1
- LogP
- 1.628 · 1.628 (est)
- NIST
- Benzeneacetyl chloride(103-80-0)
- EPA
- Benzeneacetyl chloride (103-80-0)
화학적 성질
colourless liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 65 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzeneacetyl chloride
Status: Active Update: 05-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/20430
Phenylacetyl chloride: Does not have an individual approval but may be used under an appropriate group standard
The 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.)
Other Safety InformationIMAP assessments - Benzeneacetyl chloride: Human health tier I assessment
DOT LabelCorrosive
Fire Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
Hazards Summary
Fumes in air; Decomposed by water evolving hydrogen chloride gas; May cause severe skin, eye, and mucous membrane irritation; [CAMEO] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See Acetyl chloride.
DOT ID and Guide2577 156
Reactive GroupAcyl Halides, Sulfonyl Halides, and Chloroformates
Reactivity AlertsWater-Reactive
Reactivity Profile
PHENYLACETYL CHLORIDE is incompatible with strong oxidizing agents, alcohols, bases (including amines). May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
DOT Hazard Classification
Phenylacetyl chloride
UN2577
Class 8 Corrosive material (49 eCFR § 173.136)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsSoluble in water. Fumes in air. Decomposes in water or steam to form very corrosive hydrogen chloride gas.
안전 및 보호
Fire FightingExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Accidental Release Measures
· 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.
First Aid
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Isolation and Evacuation
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Emergency Response Planning Guidelines· Note: Most foams will react with the material and release corrosive/toxic gases.
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2577
- HS 번호
- 29163900
- risk_code
- 34-37-14
- hazard_code
- C
- safety_code
- 26-36/37/39-45-25-27
- 포장분류
- II
- 위험 등급
- 8
- 기존화학 물질
- KE-28269
- F 고인화성물질
- 21
- Hazard Classifications
- Eye Dam. 1Met. Corr. 1Skin Corr. 1BSTOT SE 3
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
용도 및 제조
UsesUsed in laboratories and to make esters for flavorings; [REPROTOX]
General Manufacturing InformationBenzeneacetyl chloride: ACTIVE
응용 분야
용도Phenylacetyl chloride is used in the preparation of 1,2-diphenyl-ethanone by reaction with iodobenzene using tetrabutylammonium tetrafluoroborate as a phase transfer catalyst. It is widely used in the chemical industry for manufacturing dyes and pharmaceutical products. It plays an important role in the preparation of penicillin. Further, it is used to prepare esters for flavorings.
일반 설명A colorless volatile liquid with a strong odor. Denser than water. Contact may severely irritate skin, eyes and mucous membranes. May be toxic by ingestion. May also be combustible.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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