2-메틸-1,3-벤조티아졸-6-설포닐클로라이드

2-Methyl-1,3-benzothiazole-6-sulfonyl chloride

HCID 3583019CAS 21431-13-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1nc2ccc(S(=O)(=O)Cl)cc2s1
InChIKey: PMMBRDLKYRRHMI-UHFFFAOYSA-N
분자식: C8H6ClNO2S2
평균 분자량: 247.7 g/mol
단동위원소 질량: 246.9528485

이름 및 식별자

우선 이름: 2-Methyl-1,3-benzothiazole-6-sulfonyl chloride
IUPAC: 2-methyl-1,3-benzothiazole-6-sulfonyl chloride
현지명: 2-메틸-1,3-벤조티아졸-6-설포닐클로라이드
영어명: 2-Methyl-1,3-benzothiazole-6-sulphonyl chloride 95+%
분자식: C8H6ClNO2S2
분자량: 247.72

이름 및 동의어

21431-13-02-methyl-1,3-benzothiazole-6-sulfonyl chlorideDTXSID10393879RefChem:262864DTXCID00344739825-009-42-methylbenzo[d]thiazole-6-sulfonyl chloride2-Methyl-benzothiazole-6-sulfonyl chlorideMFCD039905712-methylbenzothiazole-6-sulfonyl chloride2-METHYL-1,3-BENZOTHIAZOLE-6-SULPHONYL CHLORIDE 95+%2-Methyl-1,3-benzothiazole-6-sulphonyl chloride

이름 더 보기

2-메틸-1,3-벤조티아졸-6-설포닐클로라이드6-Benzothiazolesulfonyl chloride, 2-methyl-6-(Chlorosulphonyl)-2-methyl-1,3-benzothiazole2-methyl-1,3-benzothiazole-6-sulfonyl chloride(SALTDATA: FREE)

SCHEMBL609522F1967-0194WAA43113SBB002795AKOS000301981VS-0357chloro(2-methylbenzothiazol-6-yl)sulfoneSY040264

데이터베이스 식별자

CAS: 21431-13-0
PubChem CID: 3583019
DTXSID: DTXSID10393879
EC Number: 825-009-4

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 83.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 314

물리화학적 성질

녹는점: 98 · 98-101
끓는 점: 380.5 · 380.5±15.0 °C(Predicted)
밀도: 1.556 · 1.556±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 결정성 분말
산도 계수 (pKa): -1.45 · -1.45±0.10(Predicted)
색상: 오렌지 레드

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.