4-Nitrobenzamidine hydrochloride

HCID 170625CAS 15723-90-7

Substructure search Find similar structures

Basic information

Standard SMILES: Cl.N=C(N)c1ccc([N+](=O)[O-])cc1
InChIKey: CJXJAUKCHHAJQN-UHFFFAOYSA-N
Molecular formula: C7H8ClN3O2
Average molar mass: 201.61 g/mol
Monoisotopic mass: 201.03050418

Names & identifiers

Preferred name: 4-Nitrobenzamidine hydrochloride
IUPAC: 4-nitrobenzenecarboximidamide;hydrochloride
English name: Benzenecarboximidamide, 4-nitro-, hydrochloride
Molecular formula: C7H8ClN3O2
Molecular weight: 201.61032

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area: 95.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 191

Safety & regulation

GHS classification

GHS Classification · 4 items

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.