2,4-Dichloro-5-methylbenzene-1-sulphonyl chloride

HCID 119914

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 28286-86-4
표준 SMILES: Cc1cc(S(=O)(=O)Cl)c(Cl)cc1Cl
InChIKey: DFBKCDYLPLBSJP-UHFFFAOYSA-N
분자식: C7H5Cl3O2S
평균 분자량: 259.5 g/mol
단동위원소 질량: 257.90758344

이름 및 식별자

우선 이름: 2,4-Dichloro-5-methylbenzene-1-sulphonyl chloride
IUPAC: 2,4-dichloro-5-methylbenzenesulfonyl chloride
영어명: 2,4-Dichloro-5-methylbenzenesulfonyl chloride
분자식: C7H5Cl3O2S
분자량: 259.54

이름 및 동의어

EINECS 248-938-12,4-Dichloro-5-methylbenzene-1-sulphonyl chlorideDTXSID40182536NSC 107853RefChem:443311DTXCID80105027248-938-128286-86-42,4-dichloro-5-methylbenzenesulfonyl chloride2,4-dichloro-5-methylbenzene-1-sulfonyl chlorideMFCD000440162,4-dichloro-5-methyl-benzenesulfonyl chloride

이름 더 보기

4,6-DICHLORO-M-TOLUENESULFONYL CHLORIDE10-oxido-1,2,3,4-tetrahydroacridin-10-ium2,4-ICHLORO-5-METHYLBENZENESULFONYL CHLORID2,4-Dichloro-5-methylbenzenesulphonyl chlorideBenzenesulfonyl chloride, 2,4-dichloro-5-methyl-2,4-Dichloro-5-methylbenzenesulfonyl chloride,97%2,4-Dichloro-5-methylbenzenesulfonic acid chloride

NSC1078532,4-Dichloro-5-methylbenzenesulfonylchloride2,4-dichloro-5-methylphenylsulfonyl chlorideSCHEMBL788091SCHEMBL31556482DBA28686SBB081973AKOS005139217

데이터베이스 식별자

CAS: 28286-86-4
PubChem CID: 119914
DTXSID: DTXSID40182536
EC Number: 248-938-1
Nikkaji: J250.690D

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 272

물리화학적 성질

녹는점: 67 · 67-72 °C
끓는 점: 333.2 · 333.2±42.0 °C(Predicted)
밀도: 1.56 · 1.560±0.06 g/cm3(Predicted)

화학적 성질

off-white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.