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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
Names and Synonyms:
Benzophenone
Methanone, diphenyl-
Benzophenone
Diphenylmethanone
Benzene, benzoyl-
Benzoylbenzene
Diphenyl ketone
α-Oxodiphenylmethane
α-Oxoditane
Phenyl ketone
Adjutan 6016
Kayacure BP
Speedcure BP
Darocur BP
Lowlite 24
NSC 8077
Kayacure BP 100
BLS 531
Runtecure 1020
BP
Irgacure BP
Winure BP
JRCure 1020
Daracure 1137
Gencure BP
PI BP
Photoinitiator BP
Hycure Benzophenone
B 0083
Omnirad BP
Identifiers:
SMILES:
O=C(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
Key Properties
Boiling Point
305.4 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
48.5 °C
CAS Common Chemistry
Density
1.11 g/cm³
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 | 182.22 g/mol | CAS Common Chemistry |
| 182.222 g/mol | RDKit | |
| 182.07316494 g/mol | RDKit | |
| Density | 1.11 g/cm³ | CAS Common Chemistry |
| 1.1108 g/cm3 @ Temp: 18 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Benzophenone | CAS Common Chemistry |
| Boiling Point | 305.4 °C @ Press: 760 Torr | 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 |
| Molar Refractivity | 56.316500000000026 | RDKit |
