CAS 169677-20-7 4-(2-Methylbutan-2-yl)benzene-1-sulfonyl chloride (HCID 22281976)

기본 정보

CAS: 169677-20-7
표준 SMILES: CCC(C)(C)c1ccc(S(=O)(=O)Cl)cc1
InChIKey: WLBQFZZPRWQTGR-UHFFFAOYSA-N
분자식: C11H15ClO2S
평균 분자량: 246.75 g/mol
단동위원소 질량: 246.0481284

이름 및 식별자

우선 이름: 4-(2-Methylbutan-2-yl)benzene-1-sulfonyl chloride
IUPAC: 4-(2-methylbutan-2-yl)benzenesulfonyl chloride
현지명: 4-TERT-아밀벤젠술포닐염화물
영어명: 4-tert-Amylbenzenesulfonyl chloride
분자식: C11H15ClO2S
분자량: 246.75

이름 및 동의어

169677-20-74-(2-methylbutan-2-yl)benzene-1-sulfonyl chlorideDTXSID20624308RefChem:512642DTXCID60575062679-056-94-TERT-AMYLBENZENESULFONYL CHLORIDE4-(tert-Pentyl)benzene-1-sulfonyl chlorideMFCD000415094-tert-amylbenzenesulphonyl chloride4-(2-METHYLBUTAN-2-YL)BENZENESULFONYL CHLORIDE4-(1,1-Dimethylpropyl)benzenesulfonyl chloride

이름 더 보기

4-TERT-아밀벤젠술포닐염화물4-tert-pentylbenzenesulfonyl chloride4-[2-(2-Methylbutyl)]benzenesulfonylchloride4-(1,1-Dimethylpropyl)benzenesulfonylchlorideBenzenesulfonyl Chloride, 4-(1,1-Dimethylpropyl)Benzenesulfonyl chloride, 4-(1,1-dimethylpropyl)- (9CI)

SCHEMBL344370SCHEMBL287263194-t-pentylbenzenesulfonyl chlorideUGA67720AKOS0062238804-(tert-Pentyl)benzenesulfonyl ChlorideAS-62466SY192444

데이터베이스 식별자

CAS: 169677-20-7
PubChem CID: 22281976
DTXSID: DTXSID20624308
EC Number: 679-056-9
Nikkaji: J267.432G

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 295

물리화학적 성질

녹는점: 44 · 44-49°C
BRN: 2102813 · 2102813

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): 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 6 reports by companies from 2 notifications to the ECHA C&L Inventory.