Benzamide, 4-nitro-N-2-pyridinyl-
Basic information
- CAS
7498-40-0- Standard SMILES
O=C(Nc1ccccn1)c1ccc([N+](=O)[O-])cc1- InChIKey
TVVXMFINZFSSKR-UHFFFAOYSA-N- Molecular formula
- C12H9N3O3
- Average molar mass
- 243.22 g/mol
- Monoisotopic mass
- 243.06439116
Names & identifiers
- Preferred name
- Benzamide, 4-nitro-N-2-pyridinyl-
- IUPAC
- 4-nitro-N-pyridin-2-ylbenzamide
- English name
- (4-Nitrophenyl)-N-(2-pyridyl)formamide
- Molecular formula
- C12H9N3O3
- Molecular weight
- 243.22
Names & synonyms
7498-40-0Benzamide, 4-nitro-N-2-pyridinyl-4-Nitro-N-2-pyridinylbenzamideBRN 0216881DTXSID702259404-22-00-03885 (Beilstein Handbook Reference)NSC 407491RefChem:321774DTXCID001484314-nitro-N-(pyridin-2-yl)benzamide4-nitro-N-pyridin-2-ylbenzamideMFCD00171028
Show more names
TIMTEC-BB SBB0063774-Nitro-N-pyridin-2-yl-benzamide(4-Nitrophenyl)-N-(2-pyridyl)formamide
4-Nitro-N-(2-pyridyl)benzamideNSC-407491(4-nitrophenyl)-N-(2-pyridyl)carboxamide4-nitro-N-pyridine-2-yl-benzamideNSC407491N2PDR6AS2SCambridge id 5186502Oprea1_327101
Database identifiers
- CAS
7498-40-0- PubChem CID
- 101345
- DTXSID
DTXSID70225940- UNII
- N2PDR6AS2S
- Nikkaji
- J2.022.425H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 244 °C · 244 °C
- Boiling point
- 361 · 361.0±22.0 °C(Predicted)
- Density
- 1.402 · 1.402±0.06 g/cm3(Predicted)
- pka
- 10.85 · 10.85±0.70(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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