2-Isopropyl-5-nitro-1H-benzo[d]imidazole

HCID 683202CAS 16405-84-8

基本情報

標準SMILES: CC(C)c1nc2ccc([N+](=O)[O-])cc2[nH]1
InChIKey: HPTQXZVPWMFRBA-UHFFFAOYSA-N
分子式: C10H11N3O2
平均分子量: 205.21 g/mol
単同位体質量: 205.0851266

名称と識別子

優先名称: 2-Isopropyl-5-nitro-1H-benzo[d]imidazole
IUPAC: 6-nitro-2-propan-2-yl-1H-benzimidazole
英語名: 2-Isopropyl-5-nitro-1H-benzimidazole
分子式: C10H11N3O2
分子量: 205.21

名称と別名

2-Isopropyl-5-nitro-1H-benzo[d]imidazole16405-84-8Oprea1_673208SCHEMBL271676SCHEMBL2716772-isopropyl-5-nitrobenzimidazole2-(methylethyl)-6-nitrobenzimidazoleAKOS002677422AKOS023170279ST0075302-ISOPROPYL-6-NITRO-1H-BENZOIMIDAZOLE1H-1,3-Benzimidazole, 2-(1-methylethyl)-6-nitro-

名称をさらに表示

2-Isopropyl-5-nitro-1H-benzimidazole

データベース識別子

CAS: 16405-84-8
PubChem CID: 683202
EC Number: 159-541-7

物性

構造計算による物性

XLogP: 2.9
極性表面積: 74.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 15
形式電荷: 0
複雑度: 252

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.