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Molecule
WSFR-TPP
CAS: 115-86-6 · C18H15O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 115-86-6
- Molecular Formula
- C18H15O4P
- Molecular Mass
- 326.29 g/mol
Identifiers
CAS Registry Number
115-86-6
SMILES
O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChI Key
XZZNDPSIHUTMOC-UHFFFAOYSA-N
InChI
InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H
Names and Synonyms
- WSFR-TPP Synonym
- Triphenyl Phosphate Synonym
- Phosphoric acid, triphenyl ester Synonym
- TFF Synonym
- Triphenol phosphate Synonym
- TTP (triphenyl phosphate) Synonym
- DHPF 005 Synonym
- Antioxidant TTP Synonym
- UN 3077 Synonym
- Disflamoll TPP Synonym
- FR 3031 Synonym
- Celluflex TPP Synonym
- Triphenyl phosphate Synonym
- Phenyl phosphate ((PhO)3PO) Synonym
- Triphenoxyphosphine oxide Synonym
- Disflamoll TP Synonym
- TP Synonym
- Phosflex TPP Synonym
- TPP Synonym
- TPPA Synonym
- Reofos TPP Synonym
- S 4 Synonym
- S 4 (phosphate) Synonym
- TTP Synonym
- Sumilizer TPP Synonym
- Wako TPP Synonym
- NSC 57868 Synonym
- Phoscon FR 903N Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 326.29 g/mol | CAS Common Chemistry |
| 326.288 g/mol | RDKit | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.2055 g/cm3 @ 50 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triphenyl_phosphate | CAS Common Chemistry |
| Canonical SMILES | O=P(OC=1C=CC=CC1)(OC=2C=CC=CC2)OC=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H | CAS Common Chemistry |
| InChI Key | InChIKey=XZZNDPSIHUTMOC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 49-50 °C | CAS Common Chemistry |
| Name | Triphenyl phosphate | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 44.760000000000005 Ų | RDKit |
| 44.76 Ų | RDKit | |
| LogP | 5.331500000000003 | RDKit |
| 5.3315 | RDKit | |
| Molar Refractivity | 88.81650000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 326.07079559000005 g/mol | RDKit |
| Boiling Point | 245 °C @ 11 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
7
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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
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MW = 326.29 g/mol; density = 1.210 g/mL. Edit any field — others recompute live.
