4-사이클로헥실-벤젠설포닐클로라이드

4-Cyclohexylbenzene-1-sulfonyl chloride

HCID 4339442CAS 56354-57-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=S(=O)(Cl)c1ccc(C2CCCCC2)cc1
InChIKey: CREMYEDHKUWVTB-UHFFFAOYSA-N
분자식: C12H15ClO2S
평균 분자량: 258.76 g/mol
단동위원소 질량: 258.0481284

이름 및 식별자

우선 이름: 4-Cyclohexylbenzene-1-sulfonyl chloride
IUPAC: 4-cyclohexylbenzenesulfonyl chloride
현지명: 4-사이클로헥실-벤젠설포닐클로라이드
영어명: 4-Cyclohexyl-benzenesulfonyl chloride
분자식: C12H15ClO2S
분자량: 258.76

이름 및 동의어

4-Cyclohexylbenzene-1-sulfonyl chlorideRefChem:522334842-748-856354-57-54-cyclohexylbenzenesulfonyl chloride4-cyclohexyl-benzenesulfonyl chlorideC12H15ClO2SMFCD006257134-Cyclohexylbenzene-1-sulfonylchlorideSCHEMBL1931626DTXSID404020844-Cyclohexylphenylsulfonyl chloride

이름 더 보기

4-사이클로헥실-벤젠설포닐클로라이드4-Cyclohexylbenzenesulphonyl chloride[4-(Chlorosulphonyl)phenyl]cyclohexane4-Cyclohexylbenzenesulfonylchloride,97%Benzenesulfonyl chloride, 4-cyclohexyl-4-cyclohexylbenzenesulfonyl chloride(SALTDATA: FREE)

chloro(4-cyclohexylphenyl)sulfoneCREMYEDHKUWVTB-UHFFFAOYSA-NALBB-001000BBL001426SBB046737STK409593AKOS000200560AS-9620

데이터베이스 식별자

CAS: 56354-57-5
PubChem CID: 4339442
DTXSID: DTXSID40402084
EC Number: 842-748-8

물성

구조 계산 물성

XLogP: 4.6
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 306

물리화학적 성질

녹는점: 52 · 52-54℃
끓는 점: 358.5 · 358.5±21.0 °C(Predicted)
밀도: 1.248 · 1.248±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 결정성 분말
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (50%)

안전 데이터

ridadr: UN3261
HS 번호: 2904990090
hazard_code: C
위험 등급: 8

화학 및 산업

응용 분야 · 1건

용도4-Cyclohexyl-benzenesulfonyl Chloride is a useful synthetic intermediate. It can be used as a reagent to synthesize secondary amides of sulfonylated 3-amidinophenylalanine which are potent and selective inhibitors of matriptase. It is also an intermediate to synthesize 4-Cyclohexyl-benzenethiol (C989250).