Back to Search
Molecule
Bisphenol A Bis(Diphenyl Phosphate)
CAS: 5945-33-5 · C39H34O8P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5945-33-5
- Molecular Formula
- C39H34O8P2
- Molecular Mass
- 692.64 g/mol
Identifiers
CAS Registry Number
5945-33-5
SMILES
CC(C)(c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1)c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1
InChI Key
BQPNUOYXSVUVMY-UHFFFAOYSA-N
InChI
InChI=1S/C39H34O8P2/c1-39(2,31-23-27-37(28-24-31)46-48(40,42-33-15-7-3-8-16-33)43-34-17-9-4-10-18-34)32-25-29-38(30-26-32)47-49(41,44-35-19-11-5-12-20-35)45-36-21-13-6-14-22-36/h3-30H,1-2H3
Names and Synonyms
- Bisphenol A Bis(Diphenyl Phosphate) Synonym
- Phosphoric acid, P,P′-[(1-methylethylidene)di-4,1-phenylene] P,P,P′,P′-tetraphenyl ester Synonym
- Phosphoric acid, diphenyl ester, diester with 4,4′-isopropylidenediphenol Synonym
- Phosphoric acid, isopropylidenedi-p-phenylene tetraphenyl ester Synonym
- Phosphoric acid, (1-methylethylidene)di-4,1-phenylene tetraphenyl ester Synonym
- Bisphenol A bis(diphenyl phosphate) Synonym
- Tetraphenyl bisphenol A bisphosphate Synonym
- 4,4′-(Isopropylidenediphenyl) bis(diphenyl phosphate) Synonym
- CR 742 Synonym
- Fyrolflex BDP Synonym
- BDP Synonym
- 2,2-Bis[4-[bis(phenoxy)phosphoryloxy]phenyl]propane Synonym
- FP 600 Synonym
- FP 700 Synonym
- CR 741S Synonym
- ADK Stab FP 600 Synonym
- ADK Stab FP 700 Synonym
- Bisphenol A tetraphenyl diphosphate Synonym
- E 890 Synonym
- BADP Synonym
- FP 750 Synonym
- NcendX P 30 Synonym
- BPA-DP Synonym
- CG 963 Synonym
- WSFR-BDP Synonym
- WSFR-BDP-N 2 Synonym
- CR 7415 Synonym
- CR 41 Synonym
- AD 191 Synonym
- BDP 30LH Synonym
- PhireGuard BDP Synonym
- Bisphenol A bis(diphenyphosphate) Synonym
- BDP-N 2 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 692.64 g/mol | CAS Common Chemistry |
| 692.6410000000003 g/mol | RDKit | |
| 692.641 g/mol | RDKit | |
| Canonical SMILES | O=P(OC=1C=CC=CC1)(OC=2C=CC=CC2)OC3=CC=C(C=C3)C(C4=CC=C(OP(=O)(OC=5C=CC=CC5)OC=6C=CC=CC6)C=C4)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C39H34O8P2/c1-39(2,31-23-27-37(28-24-31)46-48(40,42-33-15-7-3-8-16-33)43-34-17-9-4-10-18-34)32-25-29-38(30-26-32)47-49(41,44-35-19-11-5-12-20-35)45-36-21-13-6-14-22-36/h3-30H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BQPNUOYXSVUVMY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bisphenol A bis(diphenyl phosphate) | CAS Common Chemistry |
| Heavy Atom Count | 49 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 89.52000000000001 Ų | RDKit |
| 89.52 Ų | RDKit | |
| LogP | 11.302299999999986 | RDKit |
| 11.3023 | RDKit | |
| Molar Refractivity | 189.76099999999948 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 692.172891308 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 692.64 g/mol. Edit any field — others recompute live.
