2,1,3-벤조티아디아졸-4-설포닐클로라이드

2,1,3-Benzothiadiazole, 4-chlorosulfonyl-

HCID 2735459CAS 73713-79-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=S(=O)(Cl)c1cccc2nsnc12
InChIKey: CXAICGCTHOWKPP-UHFFFAOYSA-N
분자식: C6H3ClN2O2S2
평균 분자량: 234.7 g/mol
단동위원소 질량: 233.93244702

이름 및 식별자

우선 이름: 2,1,3-Benzothiadiazole, 4-chlorosulfonyl-
IUPAC: 2,1,3-benzothiadiazole-4-sulfonyl chloride
현지명: 2,1,3-벤조티아디아졸-4-설포닐클로라이드
영어명: 2,1,3-Benzothiadiazole-4-sulphonyl chloride
분자식: C6H3ClN2O2S2
분자량: 234.68

이름 및 동의어

2,1,3-Benzothiadiazole-4-sulfonyl chloride4-Chlorosulfonyl-2,1,3-benzothiadiazole2,1,3-Benzothiadiazole, 4-chlorosulfonyl-BRN 0746950DTXSID00224022RefChem:241849DTXCID00146513670-647-773713-79-8Benzo[c][1,2,5]thiadiazole-4-sulfonyl chloride2,1,3-benzothiadiazole-4-sulphonyl chloridebenzo[2,1,3]thiadiazole-4-sulfonyl chloride

이름 더 보기

2,1,3-벤조티아디아졸-4-설포닐클로라이드FS000861TOS-BB-0899ZERO/005240AKOS B017627AKOS BC-0692BUTTPARK 27\04-23TIMTEC-BB SBB007089ART-CHEM-BB B017627piazthiole-4-sulfonyl chloride

MFCD00068049C6H3ClN2O2S2Benzo-2,1,3-thiadiazole-4-sulfonyl chloride2??,1,3-benzothiadiazole-4-sulfonyl chloride2lambda4,1,3-benzothiadiazole-4-sulfonyl chlorideSCHEMBL7612172,1,3-Benzothiadiazole, 4-CXAICGCTHOWKPP-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 73713-79-8
PubChem CID: 2735459
DTXSID: DTXSID00224022
EC Number: 670-647-7
Nikkaji: J65.506F

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 96.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 289

물리화학적 성질

녹는점: 148 °C · 148 °C
끓는 점: 359.4 · 359.4±15.0 °C(Predicted)
밀도: 1.723 · 1.723±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -2.69 · -2.69±0.45(Predicted)
InChI: InChI=1S/C6H3ClN2O2S2/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H
InChIKey: CXAICGCTHOWKPP-UHFFFAOYSA-N
SMILES: N1=C2C=CC=C(S(Cl)(=O)=O)C2=NS1

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