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4-Phenylbenzophenone
CAS: 2128-93-0 | C19H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2128-93-0
Molecular Formula:
C19H14O
Molecular Mass:
258.32 g/mol
Names and Synonyms:
4-Phenylbenzophenone
Methanone, [1,1′-biphenyl]-4-ylphenyl-
Benzophenone, 4-phenyl-
[1,1′-Biphenyl]-4-ylphenylmethanone
4-Benzoylbiphenyl
4-Phenylbenzophenone
p-Phenylbenzophenone
p-Biphenylyl phenyl ketone
4-Biphenylyl phenyl ketone
Phenyl p-biphenylyl ketone
p-Benzoylbiphenyl
Trigonal 12
Eusolex 3490
NSC 55283
NSC 97365
4-Phenylphenyl phenyl methanone
4-(Phenylcarbonyl)biphenyl
Speedcure BPZ
(Biphenyl-4-yl)(phenyl)methanone
Genocure PBZ
Speedcure PBZ
4-Benzoyl-1,1′-biphenyl
Runtecure 1059
JRcure PBZ
Photoinitiator PBZ
Gencure PBZ
Identifiers:
SMILES:
O=C(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChI:
InChI=1S/C19H14O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H
Key Properties
Boiling Point
419-420 °C @ Press: 744 Torr
CAS Common Chemistry
Melting Point
102 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 258.32 g/mol | CAS Common Chemistry |
| 258.104465068 g/mol | RDKit | |
| Boiling Point | 419-420 °C @ Press: 744 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)C=2C=CC(=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C19H14O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H | CAS Common Chemistry |
| InChI Key | InChIKey=LYXOWKPVTCPORE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 102 °C | CAS Common Chemistry |
| Name | 4-Phenylbenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 4.584600000000004 | RDKit |
| Molar Refractivity | 81.75250000000003 | RDKit |
