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Bis(2,4,6-Trimethylbenzoyl)Phenylphosphine Oxide
CAS: 162881-26-7 | C26H27O3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
162881-26-7
Molecular Formula:
C26H27O3P
Molecular Weight:
418.4730000000001 g/mol
Names and Synonyms:
Bis(2,4,6-Trimethylbenzoyl)Phenylphosphine Oxide
Synonym
Methanone, 1,1′-(phenylphosphinylidene)bis[1-(2,4,6-trimethylphenyl)-
Synonym
Phosphine oxide, phenylbis(2,4,6-trimethylbenzoyl)-
Synonym
1,1′-(Phenylphosphinylidene)bis[1-(2,4,6-trimethylphenyl)methanone]
Synonym
Bis(2,4,6-trimethylbenzoyl)phenylphosphine oxide
Synonym
Irgacure 819
Synonym
CGI 819XF
Synonym
Irgacure I 819
Synonym
Phenylbis(2,4,6-trimethylbenzoyl)phosphine oxide
Synonym
Ciba 819
Synonym
Irgacure 801
Synonym
I 819
Synonym
Irgacure 919
Synonym
IRG 819
Synonym
Irgacure 819DW
Synonym
1,1′-(Phenylphosphinylidene)bis[(2,4,6-trimethylphenyl)methanone]
Synonym
Darocur 819
Synonym
Chivacure 789
Synonym
Photoinitiator 819
Synonym
BAPO
Synonym
IC 819
Synonym
Speedcure 819
Synonym
819DW
Synonym
Boxing 819
Synonym
BASF 819
Synonym
JRCure 1109
Synonym
XBPO
Synonym
Photoinitiator 850
Synonym
Photocuring agent 819
Synonym
Omnirad 380
Synonym
Keycure 981
Synonym
Lunacure 900
Synonym
Ryoji 819
Synonym
[Phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
Synonym
(Phenylphosphoryl)bis(mesitylmethanone)
Synonym
SB-PI 719
Synonym
Omnirad 819
Synonym
P 2312
Synonym
Doublecure 1819
Synonym
GR-XBPO
Synonym
Photoinitiator 898
Synonym
UV-Cure 819
Synonym
Daido UV-Cure 819
Synonym
IGM 819
Synonym
PI 819
Synonym
Omnirad 819DW
Synonym
IR 819
Synonym
Identifiers:
SMILES:
Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1
InChI:
InChI=1S/C26H27O3P/c1-16-12-18(3)23(19(4)13-16)25(27)30(29,22-10-8-7-9-11-22)26(28)24-20(5)14-17(2)15-21(24)6/h7-15H,1-6H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
7
6
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3
2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 418.47 g/mol | Legacy Database |
| cas-canonical-smile | O=C(C=1C(=CC(=CC1C)C)C)P(=O)(C=2C=CC=CC2)C(=O)C=3C(=CC(=CC3C)C)C None | Legacy Database |
| cas-inchi | InChI=1S/C26H27O3P/c1-16-12-18(3)23(19(4)13-16)25(27)30(29,22-10-8-7-9-11-22)26(28)24-20(5)14-17(2)15-21(24)6/h7-15H,1-6H3 None | Legacy Database |
| cas-inchi-key | InChIKey=GUCYFKSBFREPBC-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Bis(2,4,6-trimethylbenzoyl)phenylphosphine oxide None | Legacy Database |
| LogP | 6.206320000000006 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 418.4730000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 418.169781354 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 30 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 51.21 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 123.64950000000002 | RDKit |