2-(METHYLSULFONYL)벤젠설폰일클로라이드

2-Methanesulfonylbenzene-1-sulfonyl chloride

HCID 2735178CAS 89265-35-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CS(=O)(=O)c1ccccc1S(=O)(=O)Cl
InChIKey: XPJTUCSESGEMOI-UHFFFAOYSA-N
분자식: C7H7ClO4S2
평균 분자량: 254.7 g/mol
단동위원소 질량: 253.94742838

이름 및 식별자

우선 이름: 2-Methanesulfonylbenzene-1-sulfonyl chloride
IUPAC: 2-methylsulfonylbenzenesulfonyl chloride
현지명: 2-(METHYLSULFONYL)벤젠설폰일클로라이드
영어명: 2-(Methylsulfonyl)benzenesulfonyl chloride
분자식: C7H7ClO4S2
분자량: 254.71

이름 및 동의어

2-methanesulfonylbenzene-1-sulfonyl chlorideRefChem:474091638-950-989265-35-02-(methylsulfonyl)benzenesulfonyl chloride2-methylsulfonylbenzenesulfonyl Chloride2-(methylsulfonyl)benzene-1-sulfonyl chlorideMFCD002164932-(methylsulphonyl)benzenesulphonyl chloride2-methylsulphonylbenzenesulphonyl chlorideBenzenesulfonyl chloride, 2-(methylsulfonyl)-SCHEMBL489571

이름 더 보기

2-(METHYLSULFONYL)벤젠설폰일클로라이드o-Chlorosulfonylphenyl methyl sulfone.2-Methysulfonylbenzenesulfonyl chloride2-METHYLSULPHONYLBENZENESULFONYL CHLORIDE2-(Chlorosulphonyl)phenyl methyl sulphone2-(Methylsulfonyl)benzenesulfonyl chloride,95%2-(Methylsulphonyl)benzenesulphonylchloride95%

SCHEMBL30690139DTXSID00370614XPJTUCSESGEMOI-UHFFFAOYSA-NPDA26535o-chlorosulfonylphenyl methyl sulfoneCK2487SBB0664872-methylsulfonylbenzenesulfonylchloride

데이터베이스 식별자

CAS: 89265-35-0
PubChem CID: 2735178
DTXSID: DTXSID00370614
EC Number: 638-950-9

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 85 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 386

물리화학적 성질

녹는점: 133 · 133-138 °C
끓는 점: 442 · 442.0±37.0 °C(Predicted)
밀도: 1.4936 · 1.4936 (estimate)
물리적 상태: 결정성 분말
색상: 황백색에서 황갈색까지
수용성: 물과 반응합니다.

화학적 성질

off-white to yellowish-brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (12.5%): 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 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.