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2,4-Dimethylbenzophenone
CAS: 1140-14-3 | C15H14O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1140-14-3
Molecular Formula:
C15H14O
Molecular Mass:
210.28 g/mol
Names and Synonyms:
2,4-Dimethylbenzophenone
Methanone, (2,4-dimethylphenyl)phenyl-
Benzophenone, 2,4-dimethyl-
(2,4-Dimethylphenyl)phenylmethanone
2,4-Dimethylbenzophenone
4-Benzoyl-m-xylene
Phenyl 2,4-dimethylphenyl ketone
NSC 825
Identifiers:
SMILES:
Cc1ccc(C(=O)c2ccccc2)c(C)c1
InChI:
InChI=1S/C15H14O/c1-11-8-9-14(12(2)10-11)15(16)13-6-4-3-5-7-13/h3-10H,1-2H3
Key Properties
Boiling Point
321.5 °C
CAS Common Chemistry
Melting Point
120-121 °C
CAS Common Chemistry
Density
1.07 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 | 210.28 g/mol | CAS Common Chemistry |
| 210.276 g/mol | RDKit | |
| 210.104465068 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.068 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 321.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)C2=CC=C(C=C2C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H14O/c1-11-8-9-14(12(2)10-11)15(16)13-6-4-3-5-7-13/h3-10H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UYSQHMXRROFKRN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120-121 °C | CAS Common Chemistry |
| Name | 2,4-Dimethylbenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 16 | 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 | 3.5344400000000027 | RDKit |
| Molar Refractivity | 65.79050000000004 | RDKit |
