Benzamide, 4-nitro-N-(4-nitrophenyl)-

HCID 80625

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Basic information

CAS: 6333-15-9
Standard SMILES: O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIKey: NOMOTPVSNBNBSG-UHFFFAOYSA-N
Molecular formula: C13H9N3O5
Average molar mass: 287.23 g/mol
Monoisotopic mass: 287.05422039

Names & identifiers

Preferred name: Benzamide, 4-nitro-N-(4-nitrophenyl)-
IUPAC: 4-nitro-N-(4-nitrophenyl)benzamide
English name: 4,4'-dinitrobenzanilide
Molecular formula: C13H9N3O5
Molecular weight: 287.23

Names & synonyms

p,p'-DinitrobenzanilideBenzamide, 4-nitro-N-(4-nitrophenyl)-Benzanilide, 4,4'-dinitro-NSC 15360EINECS 228-710-8NSC 38562DTXSID2064238RefChem:561473DTXCID80438184,4'-Dinitrobenzanilide4-nitro-n-(4-nitrophenyl)benzamide6333-15-9

Show more names

Benzanilide,4'-dinitro-Benzamide,4-nitro-N-(4-nitrophenyl)-Oprea1_579548CHEMBL467741SCHEMBL9134339NSC15360NSC38562NSC-15360

Database identifiers

CAS: 6333-15-9
PubChem CID: 80625
DTXSID: DTXSID2064238
ChEMBL: CHEMBL467741
EC Number: 228-710-8
Nikkaji: J62.031I

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 121 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 401

Physicochemical properties

Melting point: 274 °C · 274 °C
Boiling point: 417.9 · 417.9±30.0 °C(Predicted)
Density: 1.496 · 1.496±0.06 g/cm3(Predicted)
pka: 10.94 · 10.94±0.70(Predicted)
EPA Substance Registry System: 4 · Benzamide, 4-nitro-N-(4-nitrophenyl)- (6333-15-9)
TSCA: TSCA listed