Basic information
- CAS
31431-19-3- Standard SMILES
Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-]- InChIKey
NGOOFAMQPUEDJM-UHFFFAOYSA-N- Molecular formula
- C13H10N2O3
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.06914219
Names & identifiers
- Preferred name
- 4-Amino-3-nitrobenzophenone
- IUPAC
- (4-amino-3-nitrophenyl)-phenylmethanone
- English name
- 4-Amino-3-nitrobenzophenone
- Molecular formula
- C13H10N2O3
- Molecular weight
- 242.23
Names & synonyms
4-Amino-3-nitrobenzophenone31431-19-3(4-Amino-3-nitrophenyl)(phenyl)methanoneE56P3N5XX3EINECS 250-631-2Methanone, (4-amino-3-nitrophenyl)phenyl-DTXSID70185358RefChem:97758DTXCID80107849250-631-2NGOOFAMQPUEDJM-UHFFFAOYSA-N(4-Amino-3-nitrophenyl)phenylmethanone
Show more names
TIMTEC-BB SBB000820LABOTEST-BB LT004554193-NITRO-4-AMINOBENZOPHENONE(4-Amino-3-nitrophenyl)phenyl-4-Amino-3-nitrobenzophenone >4-Amino-3-nitrobenzophenone, 98+%4-AMINO-3-NITROBENZOPHENONE=99.0%
(4-amino-3-nitrophenyl)-phenylmethanoneMFCD000071544-Amino-3-Nitro Benzophenone4-benzoyl-2-nitroanilineF0902-76204-amino-3-nitrophenyl phenyl ketone(4-amino-3-nitrophenyl)phenyl-methanoneCambridge id 5181737
Database identifiers
- CAS
31431-19-3- PubChem CID
- 596970
- DTXSID
DTXSID70185358- UNII
- E56P3N5XX3
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Melting point
- 140 · 140-143 °C(lit.)
- Boiling point
- 385.05 °C · 385.05°C (rough estimate)
- Density
- 1.248 · 1.2480 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder to crystal
- pka
- -2.67 · -2.67±0.10(Predicted)
- color
- Light yellow to Amber to Dark green
- Water Solubility
- 10 mg/L · 10 mg/L (20 ºC)
- BRN
- 2216543 · 2216543
- CAS DataBase Reference
- 31431 · 31431-19-3(CAS DataBase Reference)
- FDA UNII
- 56 P3N5XX3 · E56P3N5XX3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
Safety & regulation
Safety data
- wgk
- 3
- hs_code
- 29143990
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-37/39-36
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses4-Amino-3-nitrobenzophenone is a useful intermediate for the preparation of benzimidazoles, imidazolopyridines and other imidazole containing heterocyclic ring systems.
Upstream & downstream products
Upstream raw materials
Related reactions
30 records
Compound notes
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