CAS 1129-25-5 4-(Methylsulfanyl)benzene-1-sulfonyl chloride (HCID 11138731)

기본 정보

CAS: 1129-25-5
표준 SMILES: CSc1ccc(S(=O)(=O)Cl)cc1
InChIKey: ZCCHKGQZUSPUGJ-UHFFFAOYSA-N
분자식: C7H7ClO2S2
평균 분자량: 222.7 g/mol
단동위원소 질량: 221.9575995

이름 및 식별자

우선 이름: 4-(Methylsulfanyl)benzene-1-sulfonyl chloride
IUPAC: 4-methylsulfanylbenzenesulfonyl chloride
현지명: 4-(메틸티오)벤젠설포닐클로라이드(SALTDATA:FREE)
영어명: 4-(methylthio)benzenesulfonyl chloride(SALTDATA: FREE)
분자식: C7H7ClO2S2
분자량: 222.71

이름 및 동의어

4-(methylsulfanyl)benzene-1-sulfonyl chlorideRefChem:516361886-641-41129-25-54-(Methylthio)benzenesulfonyl chloride4-(Methylthio)benzene-1-sulfonyl chloride4-methylsulfanylbenzenesulfonyl Chloride4-(methylsulfanyl)benzenesulfonyl chlorideMFCD08752808Benzenesulfonyl chloride, 4-(methylthio)-4-(methylthio)benzenesulfonyl chloride(SALTDATA: FREE)SCHEMBL2035701

이름 더 보기

4-(메틸티오)벤젠설포닐클로라이드(SALTDATA:FREE)p-(Methylthio)benzenesulfonyl chloride

chloro(4-methylthiophenyl)sulfoneDTXSID204566414methylthiobenzenesulfonyl chlorideZCCHKGQZUSPUGJ-UHFFFAOYSA-N4-methylthiobenzenesulfonyl chlorideALBB-0270174-methylthio-benzenesulphonyl chlorideAKOS000431117

데이터베이스 식별자

CAS: 1129-25-5
PubChem CID: 11138731
DTXSID: DTXSID20456641
EC Number: 886-641-4
Nikkaji: J1.090.762D

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 67.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 224

물리화학적 성질

녹는점: 44 · 44-45℃
밀도: 1.46 · 1.46
저장 조건: Inert atmosphere,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.