4-Acetyl-2'-nitrobiphenyl

HCID 79805
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Basic information

CAS
5730-96-1
Standard SMILES
CC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1
InChIKey
MTZQSMJVDMLVAV-UHFFFAOYSA-N
Molecular formula
C14H11NO3
Average molar mass
241.24 g/mol
Monoisotopic mass
241.07389321

Names & identifiers

Preferred name
4-Acetyl-2'-nitrobiphenyl
IUPAC
1-[4-(2-nitrophenyl)phenyl]ethanone
English name
1-(2'-nitro[1,1'-biphenyl]-4-yl)ethan-1-one
Molecular formula
C14H11NO3
Molecular weight
241.24

Names & synonyms

4-Acetyl-2'-nitrobiphenyl5730-96-11-(2'-NITRO[1,1'-BIPHENYL]-4-YL)ETHAN-1-ONE1-(2'-Nitro(1,1'-biphenyl)-4-yl)ethan-1-oneNSC86936Acetophenone, 4'-(o-nitrophenyl)-EINECS 227-235-32'-Nitro-4-acetylbiphenylNCIOpen2_005209SCHEMBL9310402DTXSID10205923NSC 86936
Show more names
2-Nitro-4'-acetylbiphenyl4-Acetyl-2'-nitro-1,1'-biphenyl
NSC-86936NS00033682

Database identifiers

CAS
5730-96-1
PubChem CID
79805
DTXSID
DTXSID10205923
EC Number
227-235-3
Nikkaji
J22.001I

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
62.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
18

Experimental & physicochemical properties

SpringerMaterials PropertiesCrystal structure

Physicochemical properties

Melting point
100 · 100-102 °C
Boiling point
386.2 · 386.2±17.0 °C(Predicted)
Density
1.217 · 1.217±0.06 g/cm3(Predicted)

Chemistry & industry

Suppliers2 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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