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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 Mass
- 348.38 g/mol
Identifiers
CAS Registry Number
75980-60-8
SMILES
Cc1cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c(C)c1
InChI Key
VFHVQBAGLAREND-UHFFFAOYSA-N
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
Names and Synonyms
- (2,4,6-Trimethylbenzoyl)Diphenylphosphine Oxide Systematic Name
- Methanone, (diphenylphosphinyl)(2,4,6-trimethylphenyl)- Synonym
- Phosphine oxide, diphenyl(2,4,6-trimethylbenzoyl)- Synonym
- (Diphenylphosphinyl)(2,4,6-trimethylphenyl)methanone Synonym
- Lucirin LR 8728 Synonym
- Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide Synonym
- (2,4,6-Trimethylbenzoyl)diphenylphosphine oxide Synonym
- Lucirin LR 8893 Synonym
- Lucirin 8893X Synonym
- Chivacure TPO Synonym
- Irgacure TPO Synonym
- Photocure TPO Synonym
- Darocur TPO Synonym
- Speedcure TPO Synonym
- L-TPO Synonym
- Lucirin TPO Solid Synonym
- Lucirin TPO-X Synonym
- TPO-X Synonym
- Genocure TPO Synonym
- Lucirin TPO Synonym
- Lucirin LR 8953 Synonym
- TPO Synonym
- Esacure TPO Synonym
- D-TPO Synonym
- UV-Cure APO Synonym
- Lucirin LR 8953X Synonym
- Doublecure TPO Synonym
- Chemcure TPO Synonym
- DCTPO Synonym
- TPO 173 Synonym
- Genocure LTM Synonym
- D 3358 Synonym
- Micure TPO Synonym
- Additol TPO Synonym
- Ciba TPO Synonym
- Irganox 819 Synonym
- Omnirad TPO Synonym
- JRCure 1108 Synonym
- I-TPO Synonym
- Diphenyl (2,4,6-trimethylbenzoyl)phosphine oxide Synonym
- IHT-PI TPO Synonym
- Photoinitiator TPO Synonym
- JRcure TPO Synonym
- Genocure TPO-L Synonym
- Lunacure TPO Synonym
- IGR 819 Synonym
- Omnirad TPO-H Synonym
- Ryoji TPO Synonym
- 2,4,6-(Trimethylbenzoyl)diphenylphosphorus oxide Synonym
- (Diphenylphosphoryl)(mesityl)methanone Synonym
- SB-PI 718 Synonym
- LR 8953 Synonym
- Gencure TPO Synonym
- OR TPO-H Synonym
- UV-Cure TPO Synonym
- Daido UV-Cure TPO Synonym
- IGM TPO Synonym
- TPO-H Synonym
- Kaiji 3033A Synonym
- 3033A Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 348.38 g/mol | CAS Common Chemistry |
| 348.38200000000006 g/mol | RDKit | |
| 348.382 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C(=CC(=CC1C)C)C)P(=O)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=VFHVQBAGLAREND-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (2,4,6-Trimethylbenzoyl)diphenylphosphine oxide | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 4.766160000000004 | RDKit |
| 4.7662 | RDKit | |
| 4.41 | chempirical lib | |
| Molar Refractivity | 104.74200000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1364 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 348.127916542 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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.
External Resources
Related
Related molecules
Other compounds with formula C22H21O2P.
