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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
Methanone, 1,1′-(phenylphosphinylidene)bis[1-(2,4,6-trimethylphenyl)-
Phosphine oxide, phenylbis(2,4,6-trimethylbenzoyl)-
1,1′-(Phenylphosphinylidene)bis[1-(2,4,6-trimethylphenyl)methanone]
Bis(2,4,6-trimethylbenzoyl)phenylphosphine oxide
Irgacure 819
CGI 819XF
Irgacure I 819
Phenylbis(2,4,6-trimethylbenzoyl)phosphine oxide
Ciba 819
Irgacure 801
I 819
Irgacure 919
IRG 819
Irgacure 819DW
1,1′-(Phenylphosphinylidene)bis[(2,4,6-trimethylphenyl)methanone]
Darocur 819
Chivacure 789
Photoinitiator 819
BAPO
IC 819
Speedcure 819
819DW
Boxing 819
BASF 819
JRCure 1109
XBPO
Photoinitiator 850
Photocuring agent 819
Omnirad 380
Keycure 981
Lunacure 900
Ryoji 819
[Phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
(Phenylphosphoryl)bis(mesitylmethanone)
SB-PI 719
Omnirad 819
P 2312
Doublecure 1819
GR-XBPO
Photoinitiator 898
UV-Cure 819
Daido UV-Cure 819
IGM 819
PI 819
Omnirad 819DW
IR 819
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
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 | 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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 6.206320000000006 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 123.64950000000002 | RDKit |
