CAS 39545-31-8 2-Chlorobenzyl chloroformate (HCID 4072342)

基本情報

CAS: 39545-31-8
標準SMILES: O=C(Cl)OCc1ccccc1Cl
InChIKey: GCCKNHYFOVQZRG-UHFFFAOYSA-N
分子式: C8H6Cl2O2
平均分子量: 205.03 g/mol
単同位体質量: 203.9744848

名称と識別子

優先名称: 2-Chlorobenzyl chloroformate
IUPAC: (2-chlorophenyl)methyl carbonochloridate
英語名: 2-CHLOROBENZYL CHLOROFORMATE
分子式: C8H6Cl2O2
分子量: 205.04

名称と別名

2-Chlorobenzyl chloroformate39545-31-8(2-chlorophenyl)methyl carbonochloridateDTXSID60399023RefChem:470393DTXCID20349882627-610-52-Chlorobenzyl carbonochloridateMFCD008045412-Chlorobenzylchloroformate2-Chlorobenzylcarbonochloridate(2-chlorophenyl)methyl Chloroformate

名称をさらに表示

2-CHLOROBENZYL HLOROFORMATECHLORAMEISENSAEURE-2-CHLORBENZYLESTER 97Carbonochloridic acid,(2-chlorophenyl)methyl ester

o-Chlorobenzylchloroformate2-CL-Z-CLSCHEMBL1408142-Chlorobenzyl chloroformate 97%GCCKNHYFOVQZRG-UHFFFAOYSA-N2-Chlorobenzyl chloroformate, 97%2-CHLOROPHENZYL CHLOROFORMATEAKOS015891074

データベース識別子

CAS: 39545-31-8
PubChem CID: 4072342
DTXSID: DTXSID60399023
EC Number: 627-610-5
Nikkaji: J1.813.655D

物性

構造計算による物性

XLogP: 3.3
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: 161

物理化学的性質

沸点: 50 °C100 · 50 °C100 mm Hg(lit.)
比重(密度): 1.339 g/mL · 1.339 g/mL at 25 °C(lit.)
蒸気圧: 1.36 psi · 1.36 psi ( 20 °C)
屈折率: 20 · n20/D 1.536(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C
InChI: 1S/C8H6Cl2O2/c9-7-4-2-1-3-6(7)5-12-8(10)11/h1-4H,5H2
InChIKey: GCCKNHYFOVQZRG-UHFFFAOYSA-N
SMILES: ClC(=O)OCc1ccccc1Cl

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Acute Tox. 3 (100%)；Skin Corr. 1B (100%)；Eye Dam. 1 (100%)；Acute Tox. 3 (100%)

安全データ

wgk: 3
ridadr: UN 3277 6.1/PG 2
risk_code: 23/24/25-34
hazard_code: T,C
safety_code: 26-36/37/39-45
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials