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Molecule
Benzophenone
CAS: 119-61-9 · C13H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 119-61-9
- Molecular Formula
- C13H10O
- Molecular Mass
- 182.22 g/mol
Identifiers
CAS Registry Number
119-61-9
SMILES
O=C(c1ccccc1)c1ccccc1
InChI Key
RWCCWEUUXYIKHB-UHFFFAOYSA-N
InChI
InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
Names and Synonyms
- Benzophenone Common Name
- Methanone, diphenyl- Synonym
- Benzophenone Synonym
- Diphenylmethanone Synonym
- Benzene, benzoyl- Synonym
- Benzoylbenzene Synonym
- Diphenyl ketone Synonym
- α-Oxodiphenylmethane Synonym
- α-Oxoditane Synonym
- Phenyl ketone Synonym
- Adjutan 6016 Synonym
- Kayacure BP Synonym
- Speedcure BP Synonym
- Darocur BP Synonym
- Lowlite 24 Synonym
- NSC 8077 Synonym
- Kayacure BP 100 Synonym
- BLS 531 Synonym
- Runtecure 1020 Synonym
- BP Synonym
- Irgacure BP Synonym
- Winure BP Synonym
- JRCure 1020 Synonym
- Daracure 1137 Synonym
- Gencure BP Synonym
- PI BP Synonym
- Photoinitiator BP Synonym
- Hycure Benzophenone Synonym
- B 0083 Synonym
- Omnirad BP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.22 g/mol | CAS Common Chemistry |
| 182.222 g/mol | RDKit | |
| Density | 1.11 g/cm³ | CAS Common Chemistry |
| 1.1108 g/cm3 @ 18 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Benzophenone | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=RWCCWEUUXYIKHB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 48.5 °C | CAS Common Chemistry |
| Name | Benzophenone | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.917600000000001 | RDKit |
| 2.9176 | RDKit | |
| Molar Refractivity | 56.316500000000026 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 182.07316494 g/mol | RDKit |
| Boiling Point | 305.4 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 182.22 g/mol; density = 1.110 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H10O.
