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(2,4,6-Trimethylbenzoyl)Diphenylphosphine Oxide
CAS: 75980-60-8 | C22H21O2P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75980-60-8
Molecular Formula:
C22H21O2P
Molecular Weight:
348.38200000000006 g/mol
Names and Synonyms:
(2,4,6-Trimethylbenzoyl)Diphenylphosphine Oxide
Common Name
3033A
Synonym
Kaiji 3033A
Synonym
TPO-H
Synonym
IGM TPO
Synonym
Daido UV-Cure TPO
Synonym
UV-Cure TPO
Synonym
OR TPO-H
Synonym
Gencure TPO
Synonym
LR 8953
Synonym
SB-PI 718
Synonym
(Diphenylphosphoryl)(mesityl)methanone
Synonym
2,4,6-(Trimethylbenzoyl)diphenylphosphorus oxide
Synonym
Ryoji TPO
Synonym
Omnirad TPO-H
Synonym
IGR 819
Synonym
Lunacure TPO
Synonym
Genocure TPO-L
Synonym
JRcure TPO
Synonym
Photoinitiator TPO
Synonym
IHT-PI TPO
Synonym
Diphenyl (2,4,6-trimethylbenzoyl)phosphine oxide
Synonym
I-TPO
Synonym
JRCure 1108
Synonym
Omnirad TPO
Synonym
Irganox 819
Synonym
Ciba TPO
Synonym
Additol TPO
Synonym
Micure TPO
Synonym
D 3358
Synonym
Genocure LTM
Synonym
TPO 173
Synonym
DCTPO
Synonym
Chemcure TPO
Synonym
Doublecure TPO
Synonym
Lucirin LR 8953X
Synonym
UV-Cure APO
Synonym
D-TPO
Synonym
Esacure TPO
Synonym
TPO
Synonym
Lucirin LR 8953
Synonym
Lucirin TPO
Synonym
Genocure TPO
Synonym
TPO-X
Synonym
Lucirin TPO-X
Synonym
Lucirin TPO Solid
Synonym
L-TPO
Synonym
Speedcure TPO
Synonym
Darocur TPO
Synonym
Photocure TPO
Synonym
Irgacure TPO
Synonym
Chivacure TPO
Synonym
Lucirin 8893X
Synonym
Lucirin LR 8893
Synonym
(2,4,6-Trimethylbenzoyl)diphenylphosphine oxide
Synonym
Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide
Synonym
Lucirin LR 8728
Synonym
(Diphenylphosphinyl)(2,4,6-trimethylphenyl)methanone
Synonym
Phosphine oxide, diphenyl(2,4,6-trimethylbenzoyl)-
Synonym
Methanone, (diphenylphosphinyl)(2,4,6-trimethylphenyl)-
Synonym
Identifiers:
SMILES:
Cc1cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c(C)c1
InChI:
InChI=1S/C22H21O2P/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 348.38200000000006 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 348.127916542 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 25 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 34.14 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 4.766160000000004 | RDKit |
| molecular_mass | 348.38 g/mol | Legacy Database |
| cas-canonical-smile | O=C(C=1C(=CC(=CC1C)C)C)P(=O)(C=2C=CC=CC2)C=3C=CC=CC3 None | Legacy Database |
| cas-inchi | InChI=1S/C22H21O2P/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=VFHVQBAGLAREND-UHFFFAOYSA-N None | Legacy Database |
| cas-name | (2,4,6-Trimethylbenzoyl)diphenylphosphine oxide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 104.74200000000003 | RDKit |