3-Chlorotoluene (HCID 7931)

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
英語名: 3-Chlorotoluene
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m-クロロトルエン3-メチルフェニルクロリド1-メチル-3-クロロベンゼンm-トリルクロリド3-クロロ-1-メチルベンゼン3-メチル-1-クロロベンゼン1-クロロ-3-メチルベンゼン塩化m-トリル3クロロトルエン3-クロロトルエン標準品ｍクロロトルエンクロルトルエン3‐クロロトルエン3‐クロロトルエン標準品3-クロロトルエン STANDARD3-クロロトルエン Standard, 5.0 mg/mL in MeOHMCTMETA CHLORO TOLUENE3-Chlortoluolm-ChlortoluolM-Chlorotoluenm-Tolylchloride3-Chlorobenzene

M-METHYLCHLOROBENZENEDTXSID4052841RefChem:93547DTXCID607852203-580-5meta-Chlorotoluene1-chloranyl-3-methyl-benzeneNSC 8767

データベース識別子

CAS: 108-41-8
PubChem CID: 7931
DTXSID: DTXSID4052841
ChEMBL: CHEMBL1797289
UNII: 5K8172K9TT
EC Number: 203-580-5
Nikkaji: J1.497D

物性

構造計算による物性

XLogP: 3.3
極性表面積: 0 Å²
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

Density1.0722 at 68 °F (USCG, 1999) - Denser than water; will sink

Flash Point · 2 件

126 °F (NTP, 1992)

126 °F

Boiling Point324 °F at 760 mmHg (NTP, 1992)

Melting Point-54 °F (NTP, 1992)

物理化学的性質

融点: -48 °C · -48 °C (lit.)
沸点: 160 · 160-162 °C (lit.)
比重(密度): 1.072 g/mL · 1.072 g/mL at 25 °C (lit.)
蒸気圧: 3.6 mbar · 3.6 mbar @ 20 C
屈折率: 20 · n20/D 1.522(lit.)
闪点: 123 °F · 123 °F
貯蔵温度: 0 · 0-6°C
溶解性: 0.04 g/リットル · 0.04g/リットル
外見: 液体
色: 無色透明～微黄色透明
爆発限界(explosive limit): 1.3 · 1.3-8.3%(V)
水溶解度: わずかに溶ける
Merck: 14 · 14,2171
BRN: 1903632 · 1903632
Henry's Law Constant: 6.1 · 6.1×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Dielectric constant: 5.55 · 5.5499999999999998
安定性: 安定。可燃性。強力な酸化剤とは相容れない。
InChI: 1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey: OSOUNOBYRMOXQQ-UHFFFAOYSA-N
SMILES: Cc1cccc(Cl)c1
CAS データベース: 108 · 108-41-8(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1-chloro-3-methyl-(108-41-8)
EPAの化学物質情報: m-Chlorotoluene (108-41-8)

化学的性質

化学的特性o-Chlorotoluene is a flammable, colorless liquid with an aromatic odor. Insoluble in water, easily soluble in benzene, ethanol, ether and chloroform.

安全と法規制

GHS分類

GHS Classification · 6 件

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 · 3 件

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

安全と保護具

Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

First Aid · 1 件

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.

Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Isolation and EvacuationExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Personal Protective Equipment (PPE)Wear self-contained positive pressure breathing apparatus and full protective clothing. (USCG, 1999)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

安全データ

wgk: 2
tsca: TSCA listed
rtecs: XS8990000
ridadr: UN 2238 3/PG 3
hs_code: 29039990
risk_code: 20-51/53
化審法: (3)-39
消防法: 危-4-2-III
hazard_code: Xn,N
safety_code: 24/25-61
hazard_class: 3
packing_group: III
Hazard Classifications: Acute Tox. 4 InhalationAquatic Chronic 2Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

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 · 3 件

用途医薬品原料

使用3-Chlorotoluene was used as catalyst in the synthesis of glycidyl methacrylate grafted multi-walled carbon nanotubes/polypropylene nanocomposites. It was used to study paramagnetic contributions from dioxygen to solute proton spin-lattice relaxation rate constants for a series of aromatic hydrocarbons and drug molecule fragments.

一般的な説明3-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.

調製方法 · 2 件

製造方法3-Chlorotoluene is obtained from m-toluidine by diazotization and substitution. Add m-toluidine to water, slowly add concentrated hydrochloric acid, and add sodium nitrite solution dropwise at 0-5°C. Then the diazo solution is added to the cuprous chloride for replacement reaction. The crude product generated is distilled to obtain the finished product. If the diazo salt is made into a zinc chloride complex salt of m-toluidine diazo salt, it is decomposed by reflux in ether, and the reactants are cooled, washed and dried. After recovering the ether, it is distilled at atmospheric pressure and m-chlorotoluene is obtained by collecting 160-162°C fraction. The advantage of this method is that the diazonium salt is not easy to hydrolyze and generate phenols.

純化方法Purify it as for 2-chlorotoluene above. [Beilstein 5 IV 806.]

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3-クロロトルエン

基本情報

概要