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4-Methylbenzophenone
CAS: 134-84-9 | C14H12O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
134-84-9
Molecular Formula:
C14H12O
Molecular Mass:
196.25 g/mol
Names and Synonyms:
4-Methylbenzophenone
Methanone, (4-methylphenyl)phenyl-
Benzophenone, 4-methyl-
(4-Methylphenyl)phenylmethanone
4-Methylbenzophenone
Phenyl p-tolyl ketone
p-Methylbenzophenone
p-Tolyl phenyl ketone
p-Benzoyltoluene
4-Methylphenyl phenyl ketone
4-Benzoyltoluene
Phenyl(4-tolyl)methanone
p-Methylphenyl phenyl ketone
NSC 4898
(Phenyl)(4-methylphenyl)methanone
UV-Cure PMB
Speedcure MBP
SB-PI 712
JRCure 1024
Phenyl(p-tolyl)methanone
1-p-Tolyl-1-phenylmethanone
Photoinitiator MBZ
Gencure MBZ
Omnirad 4MBZ
Identifiers:
SMILES:
Cc1ccc(C(=O)c2ccccc2)cc1
InChI:
InChI=1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3
Key Properties
Boiling Point
164-169 °C @ Press: 9 Torr
CAS Common Chemistry
Melting Point
59.5 °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 | 196.25 g/mol | CAS Common Chemistry |
| 196.24900000000002 g/mol | RDKit | |
| 196.088815004 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.079 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 164-169 °C @ Press: 9 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)C2=CC=C(C=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H12O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WXPWZZHELZEVPO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 59.5 °C | CAS Common Chemistry |
| Name | 4-Methylbenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 15 | 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 | 3.226020000000002 | RDKit |
| Molar Refractivity | 61.053500000000035 | RDKit |
