1-Chloro-2,6-dimethylbenzene (HCID 32885)

概要

structure in first source

名称と識別子

優先名称: 1-Chloro-2,6-dimethylbenzene
IUPAC: 2-chloro-1,3-dimethylbenzene
現地名: 2-クロロ-m-キシレン
英語名: 2-Chloro-1,3-dimethylbenzene
分子式: C8H9Cl
分子量: 140.61

名称と別名

1-Chloro-2,6-dimethylbenzeneRefChem:861081-Cl-DMB2-Chloro-1,3-dimethylbenzene6781-98-22-Chloro-m-xylene2,6-Dimethylchlorobenzenem-Xylene, 2-chloro-Benzene, 2-chloro-1,3-dimethyl-2,6-Dimethylphenyl chlorideMFCD000005652-chloro-1,3-dimethyl-benzene

名称をさらに表示

2-クロロ-m-キシレン1-クロロ-2,6-ジメチルベンゼン2,6-ジメチルフェニルクロリド2,6-ジメチル-1-クロロベンゼン2-クロロ-1,3-ジメチルベンゼン1,3-ジメチル-2-クロロベンゼン2-クロロ-m-キシレン, 97%2-Chloroxylene1-Bromo-m-xylene2-Chloro-m-xylene,98%2-Chloro-m-xylene,99%2-Chloro-m-xylene >2,6-DIMETHYL CHLOROBENZENE2,6-DIMETHYLDICHLOROBENZENE

2-Chloro-1,3-dimethylbenzene, 97%AKOS000120055DS-11822SY048789C21642,6-Dimethyl ChlorobenzeneEINECS 229-843-4(S)-a-hydroxy-2-Thiopheneacetonitrile

データベース識別子

CAS: 6781-98-2
PubChem CID: 32885
DTXSID: DTXSID40218061
EC Number: 229-843-4
Nikkaji: J110.548E

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: 9
形式電荷: 0
複雑度: 80.6

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

物理化学的性質

融点: -36 °C · -36 °C (lit.)
沸点: 182 · 182-183 °C (lit.)
比重(密度): 1.061 g/mL · 1.061 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.527(lit.)
闪点: 146 °F · 146 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: liquid
比重: 1.061 · 1.061
水溶解度: 水と混和しないか、または混合しにくい。
BRN: 2040954 · 2040954
InChI: 1S/C8H9Cl/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
InChIKey: VDXLAYAQGYCQEO-UHFFFAOYSA-N
SMILES: Cc1cccc(C)c1Cl
CAS データベース: 6781 · 6781-98-2(CAS DataBase Reference)
NISTの化学物質情報: 2 · Benzene, 2-chloro-1,3-dimethyl-(6781-98-2)

化学的性質

化学的特性Clear colourless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
ridadr: 1993
hs_code: 2906290090
risk_code: 36/37/38-20/21
消防法: 危-4-2-III
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36/37-23
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用It is employed as intermediate for pharmaceutical.

一般的な説明Suzuki coupling reaction of 2-chloro-1,3-dimethylbenzene with arylboronic acids has been investigated. 2-Chloro-1,3-dimethylbenzene undergoes palladium-catalyzed cyanation reaction to afford 2,6-dimethyl benzonitrile.