1-Chloro-2,6-dimethylbenzene

HCID 32885CAS 6781-98-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cccc(C)c1Cl
InChIKey: VDXLAYAQGYCQEO-UHFFFAOYSA-N
분자식: C8H9Cl
평균 분자량: 140.61 g/mol
단동위원소 질량: 140.03927797

개요

structure in first source

이름 및 식별자

우선 이름: 1-Chloro-2,6-dimethylbenzene
IUPAC: 2-chloro-1,3-dimethylbenzene
영어명: 2-Chloro-1,3-dimethylbenzene
분자식: C8H9Cl
분자량: 140.61

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 80.6

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: -36 °C · -36 °C (lit.)
끓는 점: 182 · 182-183 °C (lit.)
밀도: 1.061 g/mL · 1.061 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.527(lit.)
인화점: 146 °F · 146 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: liquid
Specific Gravity: 1.061 · 1.061
수용성: 물과 섞이거나 혼합하기 어렵지 않습니다.
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
NIST: 2 · Benzene, 2-chloro-1,3-dimethyl-(6781-98-2)

화학적 성질

Clear colourless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
ridadr: 1993
HS 번호: 2906290090
risk_code: 36/37/38-20/21
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36/37-23
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도It is employed as intermediate for pharmaceutical.

일반 설명Suzuki 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.