2,6-디메틸벤질클로라이드

2,6-Dimethylbenzyl Chloride

HCID 221154

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5402-60-8
표준 SMILES: Cc1cccc(C)c1CCl
InChIKey: HPVRFWQMBYLJRL-UHFFFAOYSA-N
분자식: C9H11Cl
평균 분자량: 154.63 g/mol
단동위원소 질량: 154.05492803

이름 및 식별자

우선 이름: 2,6-Dimethylbenzyl Chloride
IUPAC: 2-(chloromethyl)-1,3-dimethylbenzene
현지명: 2,6-디메틸벤질클로라이드
영어명: 2,6-Dimethylbenzyl chloride
분자식: C9H11Cl
분자량: 154.64

이름 및 동의어

2,6-Dimethylbenzyl ChlorideBenzene, 2-(chloromethyl)-1,3-dimethyl-DTXSID70277944RefChem:445716DTXCID90229102672-584-05402-60-82-(chloromethyl)-1,3-dimethylbenzene2,6-dimethylbenzylchlorideMFCD013108152-chloromethyl-1,3-dimethyl-benzene2-(chloromethyl)-1,3-dimethyl-benzene

이름 더 보기

2,6-디메틸벤질클로라이드2,6-DimethylbenzylChloride>D**2,6-Dimethylbenzyl chloride[(2,6-diMethylphenyl)Methyl]chloranuide2,6-Dimethylbenzyl chloride ISO 9001：2015 REACH2-(Chloromethyl)-1,3-dimethylbenzene, 2-(Chloromethyl)-m-xylene

2,6-Dimethyl benzylchloride1-Chloromethyl-2,6-dimethylbenzeneNSC51662,6-dimethyl-benzyl chlorideSCHEMBL459954SCHEMBL10987054SCHEMBL27560371NSC-5166

데이터베이스 식별자

CAS: 5402-60-8
PubChem CID: 221154
DTXSID: DTXSID70277944
EC Number: 672-584-0
Nikkaji: J31.726H

물성

구조 계산 물성

XLogP: 3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 90.9

물리화학적 성질

녹는점: 33 · 33-35°C
끓는 점: 70 °C · 70°C 5mm
밀도: 1.033 · 1.033±0.06 g/cm3(Predicted)
인화점: 33 °C · 33 °C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Light yellow
InChI: InChI=1S/C9H11Cl/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,6H2,1-2H3
InChIKey: HPVRFWQMBYLJRL-UHFFFAOYSA-N
SMILES: C1(C)=CC=CC(C)=C1CCl

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H290 (40%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: Benzene, 2-(chloromethyl)-1,3-dimethyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesMet. Corr. 1 (40%)

안전 데이터

ridadr: 3261
HS 번호: 2916399090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 등급: IRRITANT, LACHRYMATOR

화학 및 산업

응용 분야 · 1건

용도2,6-Dimethylbenzyl chloride (2,6-DMBC) can be used for spectroscopic studies. 2,6-DMBC as a precursor, with the addition of a large amount of the inert carrier gas He, can be used to generate jet-cooled 2,6-dimethylbenzyl radicals and used in their vibrational spectroscopic studies[1]. 2,6-DMBC can also be used in chemical manufacturing and as a reagent for reactions. The main chemical activity of 2,6-DMBC involves an electrophilic aromatic substitution reaction, where the chlorine atom replaces the hydrogen atom on the aromatic ring, a process that is usually accelerated by a This process is usually accelerated by a catalyst such as copper(II) chloride.