Basic information
- CAS
135-69-3- Standard SMILES
CC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
CVSGKJVJFSEPSO-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Names & identifiers
- Preferred name
- Ethanone, 1-(4'-nitro[1,1'-biphenyl]-4-yl)-
- IUPAC
- 1-[4-(4-nitrophenyl)phenyl]ethanone
- English name
- 1-(4'-nitro[1,1'-biphenyl]-4-yl)ethan-1-one
- Molecular formula
- C14H11NO3
- Molecular weight
- 241.24
Names & synonyms
4'-(p-Nitrophenyl)acetophenoneAcetophenone, 4'-(p-nitrophenyl)-Ethanone, 1-(4'-nitro[1,1'-biphenyl]-4-yl)-EINECS 205-212-9NSC 43063DTXSID1059656Ethanone, 1-(4'-nitro(1,1'-biphenyl)-4-yl)-RefChem:592478DTXCID4034289Acetophenone, 4'-(p-nitrophenyl)-(8CI)4-Acetyl-4'-nitrobiphenyl135-69-3
Show more names
4'-(4-Nitrophenyl)acetophenone1-(4'-Nitrobiphenyl-4-yl)ethanone1-(3'-Nitro-4-biphenylyl)ethanone4-(3-Nitrophenyl)acetophenone, 95%1-(4'-NITRO-BIPHENYL-4-YL)-ETHANONE1-(4'-nitro-[1,1'-biphenyl]-4-yl)ethanone
1-(4'-nitro[1,1'-biphenyl]-4-yl)ethan-1-oneNSC-430631-(4'-Nitro[1,1'-biphenyl]-4-yl)ethanone1-[4-(4-nitrophenyl)phenyl]ethanone1-(4'-Nitro(1,1'-biphenyl)-4-yl)ethan-1-oneNSC43063GCC2USS8ZR4'-nitro-4-acetylbiphenyl
Database identifiers
- CAS
135-69-3- PubChem CID
- 8676
- DTXSID
DTXSID1059656- UNII
- GCC2USS8ZR
- EC Number
- 105-167-4、205-212-9
- Nikkaji
- J22.002G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Melting point
- 152 °C · 152 °C
- Boiling point
- 400 · 400.0±17.0 °C(Predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- FDA UNII
- 2 USS8ZR · GCC2USS8ZR
- EPA Substance Registry System
- 1 · Ethanone, 1-(4'-nitro[1,1'-biphenyl]-4-yl)- (135-69-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 1-(4'-nitro[1,1'-biphenyl]-4-yl)-: INACTIVE
Suppliers2 total
泰州葛林美克医药科技有限公司15366892466
泰州葛林美克医药科技有限公司0514-86654616 15366892466 · [email protected]
Related reactions
1 records
Compound notes
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