2-プロピル-1H-ベンゾイミダゾール

2-Propyl-1H-benzimidazole

HCID 21624CAS 5465-29-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCc1nc2ccccc2[nH]1
InChIKey: FBLJZPQLNMVEMR-UHFFFAOYSA-N
分子式: C10H12N2
平均分子量: 160.22 g/mol
単同位体質量: 160.10004839

名称と識別子

優先名称: 2-Propyl-1H-benzimidazole
IUPAC: 2-propyl-1H-benzimidazole
現地名: 2-プロピル-1H-ベンゾイミダゾール
英語名: 2-Propylbenzimidazole
分子式: C10H12N2
分子量: 160.22

名称と別名

2-Propylbenzimidazole2-Propyl-1H-benzimidazole5465-29-21H-Benzimidazole, 2-propyl-BENZIMIDAZOLE, 2-PROPYL-ZAS7IXN9P8NSC-28962NSC-40172DTXSID30203108RefChem:1064587DTXCID901255992-propyl-1H-benzo[d]imidazole

名称をさらに表示

2-プロピル-1H-ベンゾイミダゾール2-プロピル-1H-ベンズイミダゾール1H-Benzimidazole,2-propyl-(9CI)OMSTint-ABenzamide,4-(1,6-dimethylethyl)-2-Propyl-1H-benzo[d]imidazole CAS NO.5465-29-22-propylbenzIMIDAZOLE:2-propyl-1h-benzIMIDAZOLE

2-propyl-1H-1,3-benzodiazoleMFCD000874772-Propyl-1H-benzoimidazoleMLS000564234CHEMBL3485085-23-06-00498 (Beilstein Handbook Reference)STL168975Z55692902

データベース識別子

CAS: 5465-29-2
PubChem CID: 21624
DTXSID: DTXSID30203108
ChEMBL: CHEMBL348508
UNII: ZAS7IXN9P8
EC Number: 180-917-1
Nikkaji: J41.303H

物性

構造計算による物性

XLogP: 2.5
極性表面積: 28.7 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 147

物理化学的性質

融点: 152 · 152-153 °C
沸点: 220 °C · 220 °C
比重(密度): 1.109 · 1.109±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 11.99 · 11.99±0.10(Predicted)
InChIKey: FBLJZPQLNMVEMR-UHFFFAOYSA-N

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.