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Molecule
Resorcinol Bis(Diphenyl Phosphate)
CAS: 57583-54-7 · C30H24O8P2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 57583-54-7
- Molecular Formula
- C30H24O8P2
- Molecular Mass
- 574.46 g/mol
Identifiers
CAS Registry Number
57583-54-7
SMILES
O=P(Oc1ccccc1)(Oc1ccccc1)Oc1cccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)c1
InChI Key
OWICEWMBIBPFAH-UHFFFAOYSA-N
InChI
InChI=1S/C30H24O8P2/c31-39(33-25-14-5-1-6-15-25,34-26-16-7-2-8-17-26)37-29-22-13-23-30(24-29)38-40(32,35-27-18-9-3-10-19-27)36-28-20-11-4-12-21-28/h1-24H
Names and Synonyms
- Resorcinol Bis(Diphenyl Phosphate) Common Name
- Phosphoric acid, P,P′-1,3-phenylene P,P,P′,P′-tetraphenyl ester Synonym
- Phosphoric acid, 1,3-phenylene tetraphenyl ester Synonym
- m-Phenylene bis(diphenyl phosphate) Synonym
- Tetraphenyl resorcinol diphosphate Synonym
- Resorcinol bis(diphenyl phosphate) Synonym
- Mark PFK Synonym
- CR 733S Synonym
- Fyrolflex RDP Synonym
- LDP 301 Synonym
- PFR Synonym
- ADK Stab PFR Synonym
- 1,3-Phenylene bis(diphenyl phosphate) Synonym
- Tetraphenyl m-phenylene bisphosphate Synonym
- Reofos RDP Synonym
- ADK Stab PFP Synonym
- Resorcinol tetraphenyl diphosphate Synonym
- Tetraphenyl m-phenylene diphosphate Synonym
- Nonnen R 0111-10 Synonym
- WSFR-RDP Synonym
- BPHPPO Synonym
- PhireGuard RDP Synonym
- Fyrolflex RDP-HP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 574.46 g/mol | CAS Common Chemistry |
| 574.4620000000002 g/mol | RDKit | |
| 574.462 g/mol | RDKit | |
| Canonical SMILES | O=P(OC=1C=CC=CC1)(OC=2C=CC=CC2)OC3=CC=CC(OP(=O)(OC=4C=CC=CC4)OC=5C=CC=CC5)=C3 | CAS Common Chemistry |
| InChI | InChI=1S/C30H24O8P2/c31-39(33-25-14-5-1-6-15-25,34-26-16-7-2-8-17-26)37-29-22-13-23-30(24-29)38-40(32,35-27-18-9-3-10-19-27)36-28-20-11-4-12-21-28/h1-24H | CAS Common Chemistry |
| InChI Key | InChIKey=OWICEWMBIBPFAH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Resorcinol bis(diphenyl phosphate) | CAS Common Chemistry |
| Heavy Atom Count | 40 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 5 | RDKit |
| Topological Polar Surface Area | 89.52000000000001 Ų | RDKit |
| 89.52 Ų | RDKit | |
| LogP | 8.9764 | RDKit |
| Molar Refractivity | 151.1909999999997 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 574.0946409879999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 574.46 g/mol. Edit any field — others recompute live.
