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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
3033A
Kaiji 3033A
TPO-H
IGM TPO
Daido UV-Cure TPO
UV-Cure TPO
OR TPO-H
Gencure TPO
LR 8953
SB-PI 718
(Diphenylphosphoryl)(mesityl)methanone
2,4,6-(Trimethylbenzoyl)diphenylphosphorus oxide
Ryoji TPO
Omnirad TPO-H
IGR 819
Lunacure TPO
Genocure TPO-L
JRcure TPO
Photoinitiator TPO
IHT-PI TPO
Diphenyl (2,4,6-trimethylbenzoyl)phosphine oxide
I-TPO
JRCure 1108
Omnirad TPO
Irganox 819
Ciba TPO
Additol TPO
Micure TPO
D 3358
Genocure LTM
TPO 173
DCTPO
Chemcure TPO
Doublecure TPO
Lucirin LR 8953X
UV-Cure APO
D-TPO
Esacure TPO
TPO
Lucirin LR 8953
Lucirin TPO
Genocure TPO
TPO-X
Lucirin TPO-X
Lucirin TPO Solid
L-TPO
Speedcure TPO
Darocur TPO
Photocure TPO
Irgacure TPO
Chivacure TPO
Lucirin 8893X
Lucirin LR 8893
(2,4,6-Trimethylbenzoyl)diphenylphosphine oxide
Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide
Lucirin LR 8728
(Diphenylphosphinyl)(2,4,6-trimethylphenyl)methanone
Phosphine oxide, diphenyl(2,4,6-trimethylbenzoyl)-
Methanone, (diphenylphosphinyl)(2,4,6-trimethylphenyl)-
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | 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 | 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 | Legacy Database | |
| cas-inchi-key | InChIKey=VFHVQBAGLAREND-UHFFFAOYSA-N | Legacy Database | |
| cas-name | (2,4,6-Trimethylbenzoyl)diphenylphosphine oxide | Legacy Database | |
| LogP | 4.766160000000004 | RDKit | |
| Molecular | Molecular Weight | 348.38200000000006 g/mol | RDKit |
| Exact | Exact Molecular Weight | 348.127916542 g/mol | RDKit |
| Heavy | Heavy Atom Count | 25 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 4 count | RDKit |
| Aromatic | Aromatic Ring Count | 3 count | RDKit |
| Topological | Topological Polar Surface Area | 34.14 Ų | RDKit |
| Molar | Molar Refractivity | 104.74200000000003 | RDKit |
