3‐クロロトルエン‐2,4,6‐D3
3-Chlorotoluene
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基本情報
- CAS
1219803-79-8- 標準SMILES
Cc1cccc(Cl)c1- InChIKey
OSOUNOBYRMOXQQ-UHFFFAOYSA-N- 分子式
- C7H7Cl
- 平均分子量
- 126.58 g/mol
概要
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.
名称と識別子
- 優先名称
- 3-Chlorotoluene
- IUPAC
- 1-chloro-3-methylbenzene
- 現地名
- 3‐クロロトルエン‐2,4,6‐D3
- 英語名
- 3-Chlorotoluene--d3
- 分子式
- C7H7Cl
- 分子量
- 126.58
名称と別名
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
名称をさらに表示
3‐クロロトルエン‐2,4,6‐D33-クロロトルエン-2,4,6-d３3-Chlorotoluene--d3
M-METHYLCHLOROBENZENEDTXSID4052841RefChem:93547DTXCID607852203-580-5meta-Chlorotoluene1-chloranyl-3-methyl-benzeneNSC 8767
データベース識別子
- CAS
1219803-79-8- ChEMBL
CHEMBL1797289- UNII
- 5K8172K9TT
- EC Number
- 203-580-5
- Nikkaji
- J1.497D
物性
構造計算による物性補完中
- XLogP
- 3.3
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 0
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 70.8
実験および物理化学的性質
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]
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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)
危険有害性情報
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.
化学と産業
用途と製造
UsesUsed as a solvent and to make other chemicals and dyes; [CAMEO]
General Manufacturing InformationBenzene, 1-chloro-3-methyl-: ACTIVE
応用分野
使用3-Chlorotoluene-2,4,6-d3 (CAS# 1219803-79-8) is a useful isotopically labeled research compound.
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