4-(Benzyloxy)benzene-1-sulfonyl chloride

HCID 4738385CAS 87001-32-9

기본 정보

표준 SMILES: O=S(=O)(Cl)c1ccc(OCc2ccccc2)cc1
InChIKey: BRTDEKQMIKCPKH-UHFFFAOYSA-N
분자식: C13H11ClO3S
평균 분자량: 282.74 g/mol
단동위원소 질량: 282.01174289

이름 및 식별자

우선 이름: 4-(Benzyloxy)benzene-1-sulfonyl chloride
IUPAC: 4-phenylmethoxybenzenesulfonyl chloride
영어명: 4-(BENZYLOXY)BENZENE-1-SULFONYL CHLORIDE
분자식: C13H11ClO3S
분자량: 282.74

이름 및 동의어

87001-32-94-(Benzyloxy)benzene-1-sulfonyl chlorideDTXSID80406203RefChem:288557DTXCID90357055820-368-34-(BENZYLOXY)BENZENESULFONYL CHLORIDE4-Benzyloxy-benzenesulfonyl chloride4-phenylmethoxybenzenesulfonyl ChlorideMFCD040355574-benzyloxybenzenesulfonyl chlorideBenzenesulfonyl chloride, 4-(phenylmethoxy)-

이름 더 보기

4-(benzyloxy)benzenesulfonylacylchloro4-(Benzyloxy)benzenesulfonyl chloride 98%4-(BENZYLOXY)BENZENE-1-SULFONYL CHLORIDE ISO 9001：2015 REACH

4-(Benzyloxy)benzenesulfonylChlorideSCHEMBL9262134-benzyloxyphenylsulfonyl chlorideBRTDEKQMIKCPKH-UHFFFAOYSA-N4-benzyloxybenzenesulphonyl chloride4-Benzyloxybenzene sulfonyl chloride4-benzyloxy benzene sulfonyl chloride4-Benzyloxybenzene sulphonyl chloride

데이터베이스 식별자

CAS: 87001-32-9
PubChem CID: 4738385
DTXSID: DTXSID80406203
EC Number: 108-824-3、820-368-3
Nikkaji: J2.583.386D

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 336

물리화학적 성질

녹는점: 0 °C · 0°C
끓는 점: 0 °C · 0°C
인화점: 0 °C · 0°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 고체
색상: Brown pastey
InChI: InChI=1S/C13H11ClO3S/c14-18(15,16)13-8-6-12(7-9-13)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey: BRTDEKQMIKCPKH-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=CC=C(OCC2=CC=CC=C2)C=C1

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H290 (50%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P333+P317, P337+P317, P362+P364, P363, P390, P405, P406, 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.

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]