N-(3-chlorophenyl)-3-nitrobenzamide
Basic information
- CAS
2585-22-0- Standard SMILES
O=C(Nc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1- InChIKey
CMCSZICPDJMTCF-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2O3
- Average molar mass
- 276.67 g/mol
- Monoisotopic mass
- 276.0301698
Overview
See also: 3'-Chloro-3-nitrobenzanilide (annotation moved to).
Names & identifiers
- Preferred name
- N-(3-chlorophenyl)-3-nitrobenzamide
- IUPAC
- N-(3-chlorophenyl)-3-nitrobenzamide
- English name
- 4-chloro-N-(3-chlorophenyl)-3-nitrobenzamide
- Molecular formula
- C13H9ClN2O3
- Molecular weight
- 276.68
Names & synonyms
N-(3-chlorophenyl)-3-nitrobenzamide2585-22-0Benzanilide, 3'-chloro-3-nitro-benzamide, n-(3-chlorophenyl)-3-nitro-NSC-406598NSC 406598SHW3B27AHJCambridge id 5135367Oprea1_224641CBDivE_003189SCHEMBL10944138DTXSID90180502
Show more names
3'-CHLORO-3-NITROBENZANILIDEBenzamide,N-(3-chlorophenyl)-3-nitro-4-chloro-N-(3-chlorophenyl)-3-nitrobenzamide
NSC406598STK256899AKOS000503398ST011210N-(3-chlorophenyl)(3-nitrophenyl)carboxamide[3-[(3-chlorophenyl)carbamoyl]phenyl]azinic acidSR-01000414327SR-01000414327-1
Database identifiers
- CAS
2585-22-0- PubChem CID
- 101327
- DTXSID
DTXSID90180502- UNII
- SHW3B27AHJ
- Nikkaji
- J1.582.145K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Boiling point
- 350.2 · 350.2±27.0 °C(Predicted)
- Density
- 1.44 · 1.440±0.06 g/cm3(Predicted)
- pka
- 11.85 · 11.85±0.70(Predicted)
- FDA UNII
- 3 B27AHJ · SHW3B27AHJ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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