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Molecule
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 Mass
- 418.47 g/mol
Identifiers
CAS Registry Number
162881-26-7
SMILES
Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1
InChI Key
GUCYFKSBFREPBC-UHFFFAOYSA-N
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
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 418.47 g/mol | CAS Common Chemistry |
| 418.4730000000001 g/mol | RDKit | |
| 418.473 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C(=CC(=CC1C)C)C)P(=O)(C=2C=CC=CC2)C(=O)C=3C(=CC(=CC3C)C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=GUCYFKSBFREPBC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bis(2,4,6-trimethylbenzoyl)phenylphosphine oxide | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 51.21 Ų | RDKit |
| LogP | 6.206320000000006 | RDKit |
| 6.2063 | RDKit | |
| Molar Refractivity | 123.64950000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2308 | RDKit |
| 0.23 | chempirical lib | |
| Exact Mass | 418.169781354 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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.
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MW = 418.47 g/mol. Edit any field — others recompute live.
