2,3-디히드로-2-옥소벤족사졸-6-술포닐클로라이드

6-Benzoxazolesulfonyl chloride, 2,3-dihydro-2-oxo-

HCID 119698CAS 27685-90-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=c1[nH]c2ccc(S(=O)(=O)Cl)cc2o1
InChIKey: IBHCNMJSVDRBSY-UHFFFAOYSA-N
분자식: C7H4ClNO4S
평균 분자량: 233.63 g/mol
단동위원소 질량: 232.95495629

이름 및 식별자

우선 이름: 6-Benzoxazolesulfonyl chloride, 2,3-dihydro-2-oxo-
IUPAC: 2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride
현지명: 2,3-디히드로-2-옥소벤족사졸-6-술포닐클로라이드
영어명: 2,3-dihydro-2-oxobenzoxazole-6-sulphonyl chloride
분자식: C7H4ClNO4S
분자량: 233.63

이름 및 동의어

27685-90-16-Benzoxazolesulfonyl chloride, 2,3-dihydro-2-oxo-2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonyl chloride2,3-Dihydro-2-oxobenzoxazole-6-sulphonyl chlorideBenzoxazalone, 6-sulfochlorideEINECS 248-605-0DTXSID10673342-Oxo-2,3-dihydrobenzo(d)oxazole-6-sulfonyl chlorideRefChem:540445DTXCID6037720248-605-02-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl chloride

이름 더 보기

2,3-디히드로-2-옥소벤족사졸-6-술포닐클로라이드3-benzoxazole-6-sulphonyl chloride6-Chlorosulfonylbenzoxazol-2(3H)-one2-ox-3H-1,3-benzoxazole-6-sulfonyl chloride6-Benzoxazolesulfonylchloride, 2,3-dihydro-2-oxo-2,3-Dihydro-2-oxo-6-benzo[d]oxazolesulfonyl chloride2-Oxo-2,3-dihydro-benzo[d]oxazol-6-sulfonyl chloride2,3-Dihydro-2-oxo-1,3-benzoxazole-6-sulfonyl chloride

2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride2-Oxo-2,3-dihydro-benzooxazole-6-sulfonyl chlorideMFCD030011192-Oxo-2,3-dihydrobenzoxazole-6-sulfonyl Chloride2,3-Dihydro-2-oxo-1,3-benzooxazol-6-sulfonyl chloride6-(chlorosulfonyl)-3-hydrobenzoxazol-2-one2-Oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonylchlorideMLS004820305

데이터베이스 식별자

CAS: 27685-90-1
PubChem CID: 119698
DTXSID: DTXSID1067334
EC Number: 248-605-0
Nikkaji: J107.355I

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 80.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 349

물리화학적 성질

녹는점: 186 · 186-187℃
밀도: 1.683 · 1.683
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 7.67 · 7.67±0.70(Predicted)
EPA: 6 · 6-Benzoxazolesulfonyl chloride, 2,3-dihydro-2-oxo- (27685-90-1)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.