2-Amino-5-nitrobenzamide

HCID 97665CAS 16313-65-8

Substructure search Find similar structures

Basic information

Standard SMILES: NC(=O)c1cc([N+](=O)[O-])ccc1N
InChIKey: SOBQOVZAFJDEJI-UHFFFAOYSA-N
Molecular formula: C7H7N3O3
Average molar mass: 181.15 g/mol
Monoisotopic mass: 181.04874108

Names & identifiers

Preferred name: 2-Amino-5-nitrobenzamide
IUPAC: 2-amino-5-nitrobenzamide
English name: 5-NitroanthranilaMide
Molecular formula: C7H7N3O3
Molecular weight: 181.15

Names & synonyms

2-Amino-5-nitrobenzamide16313-65-85-NitroanthranilamideBenzamide, 2-amino-5-nitro-DTXSID00167521NSC 142033RefChem:255746DTXCID3090012605-314-72-Amino-5-nitro benzamideMFCD000902352-amino-5-nitro-benzamide

Show more names

2-CarbaMoyl-4-nitroaniline

2-Amino-5-nitrobenzamide; 2-Carbamoyl-4-nitroaniline; 2-Amino-5-nitro-benzamide; NSC 142033;NSC142033Oprea1_177136SCHEMBL346217SCHEMBL22890327TQP0789SOBQOVZAFJDEJI-UHFFFAOYSA-NSBB089771

Database identifiers

CAS: 16313-65-8
PubChem CID: 97665
DTXSID: DTXSID00167521
EC Number: 605-314-7
Nikkaji: J29.496I

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 115 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 226

Physicochemical properties

Melting point: 236.4 · 236.4-237.0 °C
Boiling point: 358.8 · 358.8±22.0 °C(Predicted)
Density: 1.481 · 1.481±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: DMSO
form: Solid
pka: 14.63 · 14.63±0.50(Predicted)
color: Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H317
Precautionary statements: 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P
HS Code: 2924297099 · 2924297099

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Sens. 1 (100%)

Safety data

hs_code: 2924297099
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H317
Precautionary statements: P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P