3-Chlorobenzenesulphonyl chloride

HCID 17909CAS 2888-06-4

기본 정보

표준 SMILES: O=S(=O)(Cl)c1cccc(Cl)c1
InChIKey: OINWZUJVEXUHCC-UHFFFAOYSA-N
분자식: C6H4Cl2O2S
평균 분자량: 211.06 g/mol
단동위원소 질량: 209.93090573

이름 및 식별자

우선 이름: 3-Chlorobenzenesulphonyl chloride
IUPAC: 3-chlorobenzenesulfonyl chloride
영어명: 3-Chlorobenzenesulfonyl chloride
분자식: C6H4Cl2O2S
분자량: 211.07

이름 및 동의어

3-Chlorobenzenesulfonyl chloride2888-06-43-Chlorobenzenesulphonyl chlorideDTXSID10183075EINECS 220-753-0M-CHLOROBENZENESULPHONYL CHLORIDERefChem:500462DTXCID20105566220-753-03-Chlorobenzene-1-Sulfonyl ChlorideBenzenesulfonyl chloride, 3-chloro-3-chlorobenzenesulfonylchloride

이름 더 보기

BUTTPARK 95\57-493-Chlorobenzenesulfo3-chlorobenzenesulphonyl3-chlorosulfonyl chloride3-Chlorophenylsulphonyl chloride

3-chloro-benzenesulfonyl chlorideMFCD00051697m-chlorobenzenesulfonyl chloride3-chlorobenzene-1-sulfonylchloride3-chlorophenylsulfonyl chloridem-ChlorbenzolsulfochloridSCHEMBL160003-chlorobenzenesulfonylchoride

데이터베이스 식별자

CAS: 2888-06-4
PubChem CID: 17909
DTXSID: DTXSID10183075
EC Number: 220-753-0
Nikkaji: J306.812I

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 219

물리화학적 성질

녹는점: 21 °C · 21°C
끓는 점: 102 · 102-104 °C/1 mmHg (lit.)
밀도: 1.499 g/mL · 1.499 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.568(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 액체
색상: 맑은 노란색
BRN: 2937139 · 2937139
InChI: InChI=1S/C6H4Cl2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H
InChIKey: OINWZUJVEXUHCC-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=CC=CC(Cl)=C1
NIST: 3 · 3-Chlorobenzenesulfonyl chloride(2888-06-4)

화학적 성질

Clear yellow liquid

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 85 reports by companies from 5 notifications to the ECHA C&L Inventory.