3-Chloro-2-methylbenzenesulfonyl chloride

HCID 522734CAS 80563-86-6

기본 정보

표준 SMILES: Cc1c(Cl)cccc1S(=O)(=O)Cl
InChIKey: ZSIYKAQPQRTBPF-UHFFFAOYSA-N
분자식: C7H6Cl2O2S
평균 분자량: 225.09 g/mol
단동위원소 질량: 223.94655579

이름 및 식별자

우선 이름: 3-Chloro-2-methylbenzenesulfonyl chloride
IUPAC: 3-chloro-2-methylbenzenesulfonyl chloride
영어명: 3-CHLORO-2-METHYLBENZENESULFONYL CHLORIDE
분자식: C7H6Cl2O2S
분자량: 225.09

이름 및 동의어

3-Chloro-2-methylbenzenesulfonyl chloride80563-86-63-chloro-2-methylbenzene-1-sulfonyl chlorideDTXSID90335050RefChem:499801DTXCID90286139626-743-63-Chloro-2-Methylbenzenesulphonyl chlorideMFCD000521983-Chloro-2-Methyl-Benzenesulfonyl Chloridechloro(3-chloro-2-methylphenyl)sulfone3-CHLORO-2-METHYLBENZENESULFONYLCHLORIDE

이름 더 보기

BUTTPARK 37\11-613-Chloro-o-toluenesulfonylchloride2-Chloro-6-(chlorosulphonyl)toluene3-Chloro-o-toluenesulphonyl chloride3-Chloro-2-methylbenzenesulfonylhlorideC**3-Chloro-2-methyl-benzenesulfonyl chl3-CHLORO-2-METHYLBENZENESULFONYL CHLORID

SCHEMBL350041ALBB-001006BBL017937SBB046743STK502399AKOS0051710053-chloro-2-methylbenzenesulfonylchoride3-chloro-2-methylphenylsulfonyl chloride

데이터베이스 식별자

CAS: 80563-86-6
PubChem CID: 522734
DTXSID: DTXSID90335050
EC Number: 626-743-6
Nikkaji: J307.785C

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 245

물리화학적 성질

녹는점: 71 · 71-74 °C (lit.)
끓는 점: 312.6 · 312.6±35.0 °C(Predicted)
밀도: 1.458 · 1.458±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 크리스탈
색상: 흰색에서 밝은 노란색
BRN: 3261529 · 3261529
InChI: 1S/C7H6Cl2O2S/c1-5-6(8)3-2-4-7(5)12(9,10)11/h2-4H,1H3
InChIKey: ZSIYKAQPQRTBPF-UHFFFAOYSA-N
SMILES: Cc1c(Cl)cccc1S(Cl)(=O)=O

화학적 성질

white to light yellow crystals

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory.