CAS 351003-54-8 4-Bromo-2,6-dichlorobenzene-1-sulfonyl chloride (HCID 2737466)

기본 정보

CAS: 351003-54-8
표준 SMILES: O=S(=O)(Cl)c1c(Cl)cc(Br)cc1Cl
InChIKey: CKJIKXAPXLPSCL-UHFFFAOYSA-N
분자식: C6H2BrCl3O2S
평균 분자량: 324.4 g/mol
단동위원소 질량: 321.80244544

이름 및 식별자

우선 이름: 4-Bromo-2,6-dichlorobenzene-1-sulfonyl chloride
IUPAC: 4-bromo-2,6-dichlorobenzenesulfonyl chloride
현지명: 4-브로모-2,6-디클로로벤젠술포닐염화물
영어명: 4-Bromo-2,6-dichlorobenzenesulfonyl chloride
분자식: C6H2BrCl3O2S
분자량: 324.41

이름 및 동의어

4-Bromo-2,6-dichlorobenzene-1-sulfonyl chlorideRefChem:519143626-263-7351003-54-84-Bromo-2,6-dichlorobenzenesulfonyl chlorideMFCD03094651Benzenesulfonyl chloride, 4-bromo-2,6-dichloro-(4-bromo-2,6-dichlorophenyl)chlorosulfoneSCHEMBL1036314DTXSID30372085CKJIKXAPXLPSCL-UHFFFAOYSA-NCK2488

이름 더 보기

4-브로모-2,6-디클로로벤젠술포닐염화물4-BROMO-2,6-DICHLOROBENZENESULFONYL CHL&4-BROMO-2,6-DICHLOROBENZENESULPHONYL CHLORIDE4-broMo-5-chlorosulfonyl-2-fluorobenzoic acid4-Bromo-2,6-dichlorobenzenesulphonylchloride97%4-Bromo-2,6-dichlorobenzenesulfonyl chloride technical grade

GEO-04158SBB063773AKOS001063427CS-W009873AS-45912SY0622384-bromo-2,6-dichlorobenzenesulfonylchloride4-bromo-2,6-dichlorobenzensulfonyl chloride

데이터베이스 식별자

CAS: 351003-54-8
PubChem CID: 2737466
DTXSID: DTXSID30372085
EC Number: 626-263-7

물성

구조 계산 물성

XLogP: 3.9
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: 264

물리화학적 성질

녹는점: 37 · 37-42 °C (lit.)
끓는 점: 349.8 · 349.8±42.0 °C(Predicted)
밀도: 1.952 · 1.952±0.06 g/cm3(Predicted)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 크리스탈
색상: 흰색에서 갈색으로
InChI: 1S/C6H2BrCl3O2S/c7-3-1-4(8)6(5(9)2-3)13(10,11)12/h1-2H
InChIKey: CKJIKXAPXLPSCL-UHFFFAOYSA-N
SMILES: Clc1cc(Br)cc(Cl)c1S(Cl)(=O)=O

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 45 reports by companies from 2 notifications to the ECHA C&L Inventory.