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Benzil
CAS: 134-81-6 | C14H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
134-81-6
Molecular Formula:
C14H10O2
Molecular Mass:
210.23 g/mol
Names and Synonyms:
Benzil
1,2-Ethanedione, 1,2-diphenyl-
Benzil
Ethanedione, diphenyl-
1,2-Diphenyl-1,2-ethanedione
Bibenzoyl
Dibenzoyl
Diphenyl-α,β-diketone
1,2-Diphenylethanedione
Diphenylglyoxal
Diphenylethanedione
1,2-Diphenylethane-1,2-dione
Wy 20910
Esacure KBO
Diphenyl diketone
NSC 220315
NSC 4041
Identifiers:
SMILES:
O=C(C(=O)c1ccccc1)c1ccccc1
InChI:
InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H
Key Properties
Boiling Point
347 °C
CAS Common Chemistry
Melting Point
94.8 °C
CAS Common Chemistry
Density
1.08 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 | 210.23 g/mol | CAS Common Chemistry |
| 210.232 g/mol | RDKit | |
| 210.06807956 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.084 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Benzil | CAS Common Chemistry |
| Boiling Point | 347 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)C(=O)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=WURBFLDFSFBTLW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 94.8 °C | CAS Common Chemistry |
| Name | Benzil | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 2.752200000000001 | RDKit |
| Molar Refractivity | 61.54500000000003 | RDKit |
