Basic information
- CAS
28533-02-0- Standard SMILES
CC(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
BVLPGPPHLSHWBG-UHFFFAOYSA-N- Molecular formula
- C14H12N2O3
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.08479225
Overview
structure given in first source; a metabolite of benzidine
Names & identifiers
- Preferred name
- 4-Nitro-4'-(acetylamino)biphenyl
- IUPAC
- N-[4-(4-nitrophenyl)phenyl]acetamide
- English name
- 4-nitro-4'-(acetylamino)biphenyl
- Molecular weight
- 0
Names & synonyms
4-Nitro-4'-(acetylamino)biphenyl28533-02-0DTXSID20182756NAA-biPhRefChem:100023DTXCID60105247N-[4-(4-nitrophenyl)phenyl]acetamideN-(4'-Nitro(1,1'-biphenyl)-4-yl)acetamideACETAMIDE, N-(4'-NITRO(1,1'-BIPHENYL)-4-YL)-4-Acetamido-4'-nitrobiphenylN-(4'-Nitro[1,1'-biphenyl]-4-yl)acetamideAcetamide, N-(4'-nitro[1,1'-biphenyl]-4-yl)-
Show more names
N-(4'-nitro-[1,1'-biphenyl]-4-yl)acetamide
BRN 2131638Acetamide,N-(4'-nitro[1,1'-biphenyl]-4-yl)-Oprea1_112691Oprea1_8643400-12-00-01321 (Beilstein Handbook Reference)N-(4'-nitrobiphenyl-4-yl)acetamideST45273251SR-01000357201
Database identifiers
- CAS
28533-02-0- PubChem CID
- 34271
- DTXSID
DTXSID20182756- Nikkaji
- J519.118A
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 324
Physicochemical properties
- 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
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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