4-Methanesulfonylbenzene-1-sulfonyl chloride

HCID 2735182

노트 반응

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기본 정보

CAS: 82964-91-8
표준 SMILES: CS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1
InChIKey: TYJOQICPGZGYDT-UHFFFAOYSA-N
분자식: C7H7ClO4S2
평균 분자량: 254.7 g/mol
단동위원소 질량: 253.94742838

이름 및 식별자

우선 이름: 4-Methanesulfonylbenzene-1-sulfonyl chloride
IUPAC: 4-methylsulfonylbenzenesulfonyl chloride
영어명: 4-Methylsulfonylbenzenesulfonyl chloride
분자식: C7H7ClO4S2
분자량: 254.71

이름 및 동의어

4-methanesulfonylbenzene-1-sulfonyl chlorideRefChem:524439628-098-682964-91-84-(Methylsulfonyl)benzenesulfonyl chloride4-methylsulfonylbenzenesulfonyl Chloride4-(Methylsulfonyl)benzene-1-sulfonyl chloride4-(methylsulphonyl)benzenesulphonyl chlorideMFCD002164864-(Methylsulfonyl)benzenesulfonyl chloride, 97%4-methylsulfonylbenzenesulfonylchloride4-(Chlorosulphonyl)phenyl methyl sulphone

이름 더 보기

benzene-1-sulfonyl chloride4-Methylsulfonylbenzenesulphonyl chloride4-METHYLSULPHONYLBENZENESULPHONYL CHLORIDEBenzenesulfonyl chloride, 4-(methylsulfonyl)-4-(Methylsulfonyl)benzenesulfonyl chloride 97%4-(Methylsulfonyl)benzenesulfonyl chloride,95%4-METHYLSULPHONYLBENZENESULPHONYL CHLORIDE 95%

4-Methanesulfonyl-benzenesulfonyl chloride4-(Methylsulfonyl)benzene-1-sulfonylchlorideSCHEMBL230747DTXSID80370617TYJOQICPGZGYDT-UHFFFAOYSA-NSBB101495AKOS000131947AT12040

데이터베이스 식별자

CAS: 82964-91-8
PubChem CID: 2735182
DTXSID: DTXSID80370617
EC Number: 628-098-6

물성

구조 계산 물성

XLogP: 0.5
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: 378

물리화학적 성질

녹는점: 165 · 165-169 °C(lit.)
끓는 점: 158 · 158-163°C
밀도: 1.4936 · 1.4936 (estimate)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 결정성 분말
색상: 노란색에서 연어 핑크색까지
InChI: 1S/C7H7ClO4S2/c1-13(9,10)6-2-4-7(5-3-6)14(8,11)12/h2-5H,1H3
InChIKey: TYJOQICPGZGYDT-UHFFFAOYSA-N
SMILES: CS(=O)(=O)c1ccc(cc1)S(Cl)(=O)=O

화학적 성질

yellow to salmon-pink crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (97.8%): 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory.