4-(メチルスルホニルクロリド)ベンジル

1-(Chloromethyl)-4-methanesulfonylbenzene

HCID 123530CAS 40517-43-9

部分構造検索類似構造を探す

基本情報

標準SMILES: CS(=O)(=O)c1ccc(CCl)cc1
InChIKey: LXPRVXKHIXWBJZ-UHFFFAOYSA-N
分子式: C8H9ClO2S
平均分子量: 204.67 g/mol
単同位体質量: 204.00117821

名称と識別子

優先名称: 1-(Chloromethyl)-4-methanesulfonylbenzene
IUPAC: 1-(chloromethyl)-4-methylsulfonylbenzene
現地名: 4-(メチルスルホニルクロリド)ベンジル
英語名: P-(METHYLSULFONYL)BENZYL CHLORIDE
分子式: C8H9ClO2S
分子量: 204.67

名称と別名

1-(chloromethyl)-4-methanesulfonylbenzeneRefChem:427498674-097-940517-43-91-(Chloromethyl)-4-(methylsulfonyl)benzene4-(methylsulfonyl)benzyl chloridep-(Methylsulfonyl)benzyl chloride1-(chloromethyl)-4-methylsulfonylbenzeneMFCD00079774p-Methylsulfonylbenzyl chloride4-methylsulfonylbenzyl chloride4-(methylsulfonyl)benzylchloride

名称をさらに表示

4-(メチルスルホニルクロリド)ベンジル塩化P-(メチルスルホニル)ベンジル1-CHLOROMETHYL-4-METHANESULFONYL-BENZENE

1-(chloromethyl)-4-methylsulfonyl-benzeneBenzene, 1-(chloromethyl)-4-(methylsulfonyl)-p-methylsufonylbenzyl chlorideSCHEMBL3985704-methanesulfonylbenzyl chloridep- methylsulfonylbenzyl chloridealpha-BromomethylparatolylsulfoneDTXSID10960924

データベース識別子

CAS: 40517-43-9、53606-06-7
PubChem CID: 123530
DTXSID: DTXSID10960924
EC Number: 674-097-9
Nikkaji: J3.683.175H

物性

構造計算による物性

XLogP: 1.5
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

物理化学的性質

融点: 78 · 78-80°C
沸点: 190 · 190-210 °C(Press: 11.5 Torr)
比重(密度): 1.287 · 1.287
貯蔵温度: 2 · Storage temp. 2-8°C
CAS データベース: 40517 · 40517-43-9(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, 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.