1-Benzothiophene-3-sulfonyl chloride

HCID 2776340CAS 18494-87-6

기본 정보

표준 SMILES: O=S(=O)(Cl)c1csc2ccccc12
InChIKey: WYYRQMZTUXFUTC-UHFFFAOYSA-N
분자식: C8H5ClO2S2
평균 분자량: 232.7 g/mol
단동위원소 질량: 231.94194908

이름 및 식별자

우선 이름: 1-Benzothiophene-3-sulfonyl chloride
IUPAC: 1-benzothiophene-3-sulfonyl chloride
영어명: 1-Benzothiophene-3-sulfonyl chloride
분자식: C8H5ClO2S2
분자량: 232.71

이름 및 동의어

18494-87-61-benzothiophene-3-sulfonyl chlorideBenzo[b]thiophene-3-sulfonyl chlorideDTXSID90380000Benzo(b)thiophene-3-sulfonyl chlorideRefChem:429641DTXCID80331026836-246-8Benzothiophene-3-sulfonyl ChlorideMFCD02681897C8H5ClO2S2Benzothiophene-3-sulfonylchloride

이름 더 보기

BUTTPARK 83\07-013-(Chlorosulphonyl)-1-benzothiophene1-BENZOTHIOPHENE-3-SULPHONYL CHLORIDEBenzo[b]thiophene-3-sulphonyl chloride1-Benzothiophene-3-sulfonyl chloride ,97%1-BENZOTHIOPHENE-3-SULFONYL CHLORIDE ISO 9001：2015 REACH3-(Chlorosulphonyl)-1-benzothiophene, 3-(Chlorosulphonyl)-1-benzo[b[thiophene

SCHEMBL2885423-chlorosulphonyl-benzothiopheneB6229N12250Benzothiophene-3-su1-BENZOTHIOPHENE-3-SULFONYLCHLORIDEA812897SCHEMBL29469856

데이터베이스 식별자

CAS: 18494-87-6
PubChem CID: 2776340
DTXSID: DTXSID90380000
EC Number: 836-246-8
Nikkaji: J1.952.147H

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 70.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 283

물리화학적 성질

녹는점: 86 °C · 86 °C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 결정질 고체
색상: Grey-brown
수용성: 물에 거의 용해되지 않습니다(25°C에서 0.091g/L).
InChI: 1S/C8H5ClO2S2/c9-13(10,11)8-5-12-7-4-2-1-3-6(7)8/h1-5H
InChIKey: WYYRQMZTUXFUTC-UHFFFAOYSA-N
SMILES: ClS(=O)(=O)c1csc2ccccc12

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H290 (33.3%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

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