CAS 19654-32-1 2,4-Dichlorobenzyl isocyanate (HCID 4612708)

名称と識別子

優先名称: 2,4-Dichlorobenzyl isocyanate
IUPAC: 2,4-dichloro-1-(isocyanatomethyl)benzene
英語名: 2,4-DICHLOROBENZYL ISOCYANATE
分子式: C8H5Cl2NO
分子量: 202.04

名称と別名

2,4-Dichlorobenzyl isocyanate19654-32-1DTXSID50404877RefChem:246338DTXCID70355731625-504-32,4-dichloro-1-(isocyanatomethyl)benzene2,4-dichlorobenzylisocyanateSCHEMBL785031SCHEMBL30438794FUIUATRKBRZCQD-UHFFFAOYSA-N2,4-Dichlorobenzyl isocyanate, 98%

名称をさらに表示

2,4-Dichlorobenzyl isocyanate 98%Benzene, 2,4-dichloro-1-(isocyanatomethyl)-

AKOS0158913032,4-dichloro-1-isocyanatomethyl-benzeneDB-065911G77514EN300-1968009

データベース識別子

CAS: 19654-32-1
PubChem CID: 4612708
DTXSID: DTXSID50404877
EC Number: 625-504-3

物性

構造計算による物性

XLogP: 4.2
極性表面積: 29.4 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: 191

物理化学的性質

沸点: 273 °C · 273 °C (lit.)
比重(密度): 1.388 g/mL · 1.388 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.565(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C
外見: 結晶性粉末
色: 白色から黄色、薄茶色
InChI: 1S/C8H5Cl2NO/c9-7-2-1-6(4-11-5-12)8(10)3-7/h1-3H,4H2
InChIKey: FUIUATRKBRZCQD-UHFFFAOYSA-N
SMILES: Clc1ccc(CN=C=O)c(Cl)c1
CAS データベース: 19654 · 19654-32-1

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
ridadr: UN 2206 6.1/PG 3
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野

使用2,4-Dichlorobenzyl isocyanate may be used in the preparation of N-(2,5-dichlorobenzyl)-1-(4-methoxybenzyl)-4,5-dihydro-1H-imidazol-2-amine.

一般的な説明2,4-Dichlorobenzyl isocyanate, also known as 2,4-dichloro-1-(isocyanatomethyl)benzene, is an organic building block containing an isocyanate group.