1,3-벤조티아졸-6-설포닐염화물

1,3-Benzothiazole-6-sulfonyl chloride

HCID 2795170

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 181124-40-3
표준 SMILES: O=S(=O)(Cl)c1ccc2ncsc2c1
InChIKey: XQOLJTWXFUSVOR-UHFFFAOYSA-N
분자식: C7H4ClNO2S2
평균 분자량: 233.7 g/mol
단동위원소 질량: 232.93719805

이름 및 식별자

우선 이름: 1,3-Benzothiazole-6-sulfonyl chloride
IUPAC: 1,3-benzothiazole-6-sulfonyl chloride
현지명: 1,3-벤조티아졸-6-설포닐염화물
영어명: 1,3-Benzothiazole-6-sulfonyl chloride
분자식: C7H4ClNO2S2
분자량: 233.7

이름 및 동의어

1,3-benzothiazole-6-sulfonyl chloride181124-40-3DTXSID00383562RefChem:217984DTXCID70334586683-346-0Benzo[d]thiazole-6-sulfonyl chloride6-Benzothiazolesulfonyl chlorideMFCD03086100C7H4ClNO2S26-ChlorosulfonylbenzothiazoleSCHEMBL742714

이름 더 보기

1,3-벤조티아졸-6-설포닐염화물BUTTPARK 121\04-40BENZOTHIAZOLE-6-SULPHONYL CHLORIDE6-(Chlorosulphonyl)-1,3-benzothiazole1,3-Benzothiazole-6-sulphonyl chloride1,3-Benzothiazole-6-sulphonylchloride95%1,3-Benzothiazole-6-sulphonyl chloride 95%1,3-Benzothiazole-6-sulfonyl chloride, 90+%

1,3-benzothiazole-6-sulfonylchloride6-Benzothiazolesulfonyl Chloride;benzothiazol-6-ylchlorosulfoneorb3022944XQOLJTWXFUSVOR-UHFFFAOYSA-TPL0046XQOLJTWXFUSVOR-UHFFFAOYSA-NBenzo[d]thiazole-6-sulfonylchloride

데이터베이스 식별자

CAS: 181124-40-3
PubChem CID: 2795170
DTXSID: DTXSID00383562
EC Number: 683-346-0

물성

구조 계산 물성

XLogP: 2
극성 표면적: 83.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 287

물리화학적 성질

녹는점: 110 · 110-115°C
끓는 점: 377 · 377.0±15.0 °C(Predicted)
밀도: 1.635 · 1.635±0.06 g/cm3(Predicted)
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: soluble in Acetone, Chloroform, Ethyl Acetate
산도 계수 (pKa): -2.25 · -2.25±0.10(Predicted)
물리적 상태: 가루
색상: Faint to light yellow
InChI: InChI=1S/C7H4ClNO2S2/c8-13(10,11)5-1-2-6-7(3-5)12-4-9-6/h1-4H
InChIKey: XQOLJTWXFUSVOR-UHFFFAOYSA-N
SMILES: S1C2=CC(S(Cl)(=O)=O)=CC=C2N=C1

화학적 성질

Off-White to Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 4.2% (2 of 48) of reports.

Danger

H314 (95.8%): 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 48 reports by companies from 6 notifications to the ECHA C&L Inventory.