4-(Methylsulfonyl)benzyl Bromide

HCID 2733581CAS 53606-06-7

기본 정보

표준 SMILES: CS(=O)(=O)c1ccc(CBr)cc1
InChIKey: HGKPAXHJTMHWAH-UHFFFAOYSA-N
분자식: C8H9BrO2S
평균 분자량: 249.13 g/mol
단동위원소 질량: 247.95066263

이름 및 식별자

우선 이름: 4-(Methylsulfonyl)benzyl Bromide
IUPAC: 1-(bromomethyl)-4-methylsulfonylbenzene

이름 및 동의어

4-(Methylsulfonyl)benzyl BromideRefChem:516387679-455-853606-06-71-(bromomethyl)-4-(methylsulfonyl)benzene1-(bromomethyl)-4-methanesulfonylbenzeneMFCD001858491-bromomethyl-4-methanesulfonyl-benzene4-METHYLSULPHONYLBENZYL BROMIDE4-(METHYLSULFONYL)BENZYLBROMIDE1-(bromomethyl)-4-methylsulfonylbenzene4-methylsulfonylbenzyl bromide

이름 더 보기

4-methylsulfonylbenzylbromide4-methylsulphonylbenzylbromidep-methylsulfonylbenzyl bromideSCHEMBL2407474-methanesulfonylbenzyl bromide4-methanesulphonylbenzyl bromide4-methylsulphonyl benzyl bromideHGKPAXHJTMHWAH-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 53606-06-7
PubChem CID: 2733581
DTXSID: DTXSID301347246
EC Number: 679-455-8
Nikkaji: J31.918J

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 222

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H290 (16.7%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.