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Triphenyl Phosphate
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
Names and Synonyms:
Triphenyl Phosphate
Phosphoric acid, triphenyl ester
TFF
WSFR-TPP
Triphenol phosphate
TTP (triphenyl phosphate)
DHPF 005
Antioxidant TTP
UN 3077
Disflamoll TPP
FR 3031
Celluflex TPP
Triphenyl phosphate
Phenyl phosphate ((PhO)3PO)
Triphenoxyphosphine oxide
Disflamoll TP
TP
Phosflex TPP
TPP
TPPA
Reofos TPP
S 4
S 4 (phosphate)
TTP
Sumilizer TPP
Wako TPP
NSC 57868
Phoscon FR 903N
Identifiers:
SMILES:
O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
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
Key Properties
Boiling Point
245 °C @ Press: 11 Torr
CAS Common Chemistry
Melting Point
49-50 °C
CAS Common Chemistry
Density
1.21 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 326.29 g/mol | CAS Common Chemistry |
| 326.288 g/mol | RDKit | |
| 326.07079559000005 g/mol | RDKit | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.2055 g/cm3 @ Temp: 50 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triphenyl_phosphate | CAS Common Chemistry |
| Boiling Point | 245 °C @ Press: 11 Torr | 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 |
| LogP | 5.331500000000003 | RDKit |
| Molar Refractivity | 88.81650000000003 | RDKit |
