4-Nitrobenzamidine hydrochloride

HCID 170625CAS 15723-90-7

基本情報

標準SMILES: Cl.N=C(N)c1ccc([N+](=O)[O-])cc1
InChIKey: CJXJAUKCHHAJQN-UHFFFAOYSA-N
分子式: C7H8ClN3O2
平均分子量: 201.61 g/mol
単同位体質量: 201.03050418

名称と識別子

優先名称: 4-Nitrobenzamidine hydrochloride
IUPAC: 4-nitrobenzenecarboximidamide;hydrochloride
英語名: Benzenecarboximidamide, 4-nitro-, hydrochloride
分子式: C7H8ClN3O2
分子量: 201.61032

名称と別名

4-Nitrobenzamidine hydrochlorideBenzenecarboximidamide, 4-nitro-, hydrochloride (1:1)RefChem:525919239-817-415723-90-74-Nitrobenzamidine, Hydrochloride4-Nitrobenzenecarboximidamide hydrochloride4-Nitrobenzamidine,Hydrochloride4-NITROBENZAMIDINE HCLMFCD00278833p-Nitrobenzamidine hydrochloride4-NITROBENZIMIDAMIDE, HCL

名称をさらに表示

Benzenecarboximidamide, 4-nitro-, hydrochloride

4-Nitrobenzimidamide hydrochlorideBenzenecarboximidamide, 4-nitro-, monohydrochloride4-Nitrobenzenecarboximidamide monohydrochloride4-nitrobenzenecarboximidamide;hydrochloridep-Nitrobenzamidine, monohydrochlorideAB05920[amino-(4-nitrophenyl)methylidene]azanium;chloride4-NITROBENZENE-1-CARBOXIMIDAMIDE HYDROCHLORIDE

データベース識別子

CAS: 15723-90-7、42249-49-0
PubChem CID: 170625
DTXSID: DTXSID20935643
EC Number: 239-817-4

物性

構造計算による物性

極性表面積: 95.7 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 191

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.