Benzenemethanamine, 3-nitro-, hydrochloride (1:1)

HCID 2724030CAS 26177-43-5

Substructure search Find similar structures

Basic information

Standard SMILES: Cl.NCc1cccc([N+](=O)[O-])c1
InChIKey: DLZXLCHQWOZGSE-UHFFFAOYSA-N
Molecular formula: C7H9ClN2O2
Average molar mass: 188.61 g/mol
Monoisotopic mass: 188.03525521

Names & identifiers

Preferred name: Benzenemethanamine, 3-nitro-, hydrochloride (1:1)
IUPAC: (3-nitrophenyl)methanamine;hydrochloride

Names & synonyms

26177-43-5Benzenemethanamine, 3-nitro-, hydrochloride (1:1)RefChem:10784963-Nitrobenzylamine hydrochloride(3-nitrophenyl)methanamine Hydrochloride3-Nitrobenzylammonium hydrochlorideMFCD000128583-Nitrobenzylamine HCl1-(3-nitrophenyl)methanamine hydrochloridem-nitrobenzylamine hydrochlorideNSC1609363-nitrobenzenemethanamine hydrochloride

Show more names

NSC-1609363-Nitrobenzylamine hydrochloride, 97%3-nitrobenBenzenemethanamine, 3-nitro-, monohydrochloride(3-nitrophenyl)methanamine,hydrochlorideCHEMBL13978SCHEMBL1017929SCHEMBL1970066

Database identifiers

CAS: 26177-43-5
PubChem CID: 2724030
DTXSID: DTXSID20949048
ChEMBL: CHEMBL13978
EC Number: 247-502-8

Properties

Computed structural properties

Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 144

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.