2-フェノキシベンジルクロリド

Benzene, (chloromethyl)phenoxy-

HCID 169302

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 31426-72-9
標準SMILES: ClCc1ccccc1Oc1ccccc1
InChIKey: VIGILLBRWRDXDA-UHFFFAOYSA-N
分子式: C13H11ClO
平均分子量: 218.68 g/mol
単同位体質量: 218.0498427

名称と識別子

優先名称: Benzene, (chloromethyl)phenoxy-
IUPAC: 1-(chloromethyl)-2-phenoxybenzene
現地名: 2-フェノキシベンジルクロリド
英語名: 1-(chloromethyl)-2-phenoxy-benzene
分子式: C13H11ClO
分子量: 218.68

名称と別名

1-(chloromethyl)-2-phenoxybenzene5888-53-92-Phenoxybenzyl ChlorideMonochloromethyl diphenyl oxideBenzene, (chloromethyl)phenoxy-EINECS 250-623-9DTXSID40974377RefChem:562131DTXCID801401805678-459-7MFCD004497491-(Chloromethyl)-2-phenoxy-benzene

名称をさらに表示

2-フェノキシベンジルクロリド2-(クロロメチル)ジフェニルエーテル1-(クロロメチル)-2-フェノキシベンゼン2-PhenoxybenzylChloride>2-(Chloromethyl)diphenyl EtherBenzene,1-(chloroMethyl)-2-phenoxy-2-PHENOXYBENZYL CHLORIDE,97.0+%(GC)

2-(Chloromethyl)diphenylether31426-72-9o-phenoxybenzyl chloride2-(Chloromethyl)diphenyl Etherorb3022794SCHEMBL3142433SCHEMBL10471231SCHEMBL28541520

データベース識別子

CAS: 31426-72-9、5888-53-9
PubChem CID: 169302
DTXSID: DTXSID40974377
EC Number: 250-623-9、678-459-7
Nikkaji: J31.984H

物性

構造計算による物性

XLogP: 3.8
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 3
重原子数: 15
形式電荷: 0
複雑度: 177

物理化学的性質

沸点: 172 °C · 172 °C / 16mmHg
比重(密度): 1.18 · 1.18
屈折率: 1.589 to · 1.5890 to 1.5930
CAS データベース: 5888 · 5888-53-9

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H290 (50%): May be corrosive to metals [Warning Corrosive to Metals]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P390, P403+P233, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.