3-클로로톨루엔–d3
3-Chlorotoluene
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기본 정보
- CAS
1219803-79-8- 표준 SMILES
Cc1cccc(Cl)c1- InChIKey
OSOUNOBYRMOXQQ-UHFFFAOYSA-N- 분자식
- C7H7Cl
- 평균 분자량
- 126.58 g/mol
개요
M-chlorotoluene is a colorless liquid. Specific gravity 1.072. Denser than water, thus sinks in water. Flash point less than 141 °F. Vapors irritating and narcotic in high concentrations. Used as solvents and as an intermediate for making other chemicals and dyes.
이름 및 식별자
- 우선 이름
- 3-Chlorotoluene
- IUPAC
- 1-chloro-3-methylbenzene
- 현지명
- 3-클로로톨루엔–d3
- 영어명
- 3-Chlorotoluene--d3
- 분자식
- C7H7Cl
- 분자량
- 126.58
이름 및 동의어
3-Chlorotoluene108-41-81-Chloro-3-methylbenzeneM-CHLOROTOLUENEm-Tolyl chloride3-Chloro-1-methylbenzeneBenzene, 1-chloro-3-methyl-Toluene, m-chloro-1-Methyl-3-chlorobenzene3-METHYLCHLOROBENZENE5K8172K9TTNSC-8767
이름 더 보기
3-클로로톨루엔–d33-Chlorotoluene--d3
M-METHYLCHLOROBENZENEDTXSID4052841RefChem:93547DTXCID607852203-580-5meta-Chlorotoluene1-chloranyl-3-methyl-benzeneNSC 8767
데이터베이스 식별자
- CAS
1219803-79-8- ChEMBL
CHEMBL1797289- UNII
- 5K8172K9TT
- EC Number
- 203-580-5
- Nikkaji
- J1.497D
물성
구조 계산 물성보충 중
- XLogP
- 3.3
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 70.8
실험 및 물리화학적 성질
SolventsSolvents -> Chlorinated Aromatics
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP3.28
Density1.0722 at 68 °F (USCG, 1999) - Denser than water; will sink
Flash Point
126 °F (NTP, 1992)
126 °F
Boiling Point324 °F at 760 mmHg (NTP, 1992)
Melting Point-54 °F (NTP, 1992)
Vapor Pressure
10 mmHg at 109.8 °F (NTP, 1992)
3.68 [mmHg]
Physical Description
M-chlorotoluene is a colorless liquid. Specific gravity 1.072. Denser than water, thus sinks in water. Flash point less than 141 °F. Vapors irritating and narcotic in high concentrations. Used as solvents and as an intermediate for making other chemicals and dyes.
Colorless liquid; [Hawley]
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H332: Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P271, P273, P304+P340, P317, P391, and P501 (click each P-code to see the statement)
Warning
H226 (95.5%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P332+P317, P362+P364, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: Benzene, 1-chloro-3-methyl-
Status: Active Update: 07-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19214
3-Chlorotoluene: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelFlammable Liquid
Fire HazardsSpecial Hazards of Combustion Products: May contain toxic chloride fumes.
Health HazardsInhalation causes upper respiratory irritation. Irritating to skin and eyes. May be absorbed through the skin. Prolonged exposure may result in systemic toxic effects. Harmful if swallowed. (USCG, 1999)
Hazards SummaryA skin, eye, and respiratory tract irritant; [CAMEO] Causes narcosis in high concentrations; [Hawley] Harmful by inhalation; [MSDSonline]
Reactive GroupAryl Halides
Reactivity AlertsHighly Flammable
Reactivity ProfileM-CHLOROTOLUENE is generally unreactive. May be incompatible with strong oxidizing and reducing agents. May be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
화학 및 산업
용도 및 제조
UsesUsed as a solvent and to make other chemicals and dyes; [CAMEO]
General Manufacturing InformationBenzene, 1-chloro-3-methyl-: ACTIVE
응용 분야
용도3-Chlorotoluene-2,4,6-d3 (CAS# 1219803-79-8) is a useful isotopically labeled research compound.
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