4-(Methylsulfonyl)benzyl Bromide

HCID 2733581

ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS: 53606-06-7
標準SMILES: CS(=O)(=O)c1ccc(CBr)cc1
InChIKey: HGKPAXHJTMHWAH-UHFFFAOYSA-N
分子式: C8H9BrO2S
平均分子量: 249.13 g/mol
単同位体質量: 247.95066263

名称と識別子

優先名称: 4-(Methylsulfonyl)benzyl Bromide
IUPAC: 1-(bromomethyl)-4-methylsulfonylbenzene

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性補完中

XLogP: 1.7
極性表面積: 42.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 222

安全と法規制

GHS分類

GHS Classification · 4 件

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.