CAS 6200-36-8 (4-Chlorophenyl)methyl chloroformate (HCID 13292914)

基本情報

CAS: 6200-36-8
標準SMILES: O=C(Cl)OCc1ccc(Cl)cc1
InChIKey: IJWMYYIUFNJDKN-UHFFFAOYSA-N
分子式: C8H6Cl2O2
平均分子量: 205.03 g/mol
単同位体質量: 203.97448479

名称と識別子

優先名称: (4-Chlorophenyl)methyl chloroformate
IUPAC: (4-chlorophenyl)methyl carbonochloridate
英語名: Carbonochloridic acid, (4-chlorophenyl)methyl ester
分子式: C8H6Cl2O2
分子量: 205.04

名称と別名

(4-chlorophenyl)methyl chloroformateRefChem:402692845-351-86200-36-84-chlorobenzyl carbonochloridate(4-Chlorophenyl)methyl carbonochloridate4-Chlorobenzyl Chloroformate4-chlorobenzylcarbonochloridateSCHEMBL137476DTXSID60535247IJWMYYIUFNJDKN-UHFFFAOYSA-NAKOS020226197

名称をさらに表示

Carbonochloridic acid, (4-chlorophenyl)methyl ester

EN300-220240

データベース識別子

CAS: 6200-36-8
PubChem CID: 13292914
DTXSID: DTXSID60535247
EC Number: 845-351-8

物性

構造計算による物性

XLogP: 3.7
極性表面積: 26.3 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: 3
重原子数: 12
形式電荷: 0
複雑度: 153

物理化学的性質

沸点: 88 °C · 88 °C
比重(密度): 1.375 · 1.375±0.06 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P203, P260, P261, P264, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P319, P321, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.