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115-86-6 molecular structure
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triphenyl phosphate

ChemBase ID: 130024
Molecular Formular: C18H15O4P
Molecular Mass: 326.283061
Monoisotopic Mass: 326.07079559
SMILES and InChIs

SMILES:
O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
Canonical 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
InChIKey:
XZZNDPSIHUTMOC-UHFFFAOYSA-N

Cite this record

CBID:130024 http://www.chembase.cn/molecule-130024.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
triphenyl phosphate
IUPAC Traditional name
triphenyl phosphate
Synonyms
Triphenyl phosphate solution
Triphenyl phosphate
Triphenyl phosphate
Phosphoric Acid Triphenyl Ester
Celluflex TPP
Disflamoll TP
NSC 57868
Phenyl Phosphate
Phoscon FR 903N
Phosflex TPP
Reofos TPP
S 4
Sumilizer TPP
TP
TPP
TPPA
TTP
Triphenoxyphosphine Oxide
Wako TPP
磷酸三苯酯 溶液
磷酸三苯酯 溶液
磷酸三苯酯溶液
磷酸三苯酯
CAS Number
115-86-6
EC Number
204-112-2
MDL Number
MFCD00003031
Beilstein Number
1888236
Merck Index
149742
PubChem SID
24882069
24879221
24871702
24846710
24854472
24889786
24868016
162224309
PubChem CID
8289
CHEBI ID
35033
CHEMBL
454511
Chemspider ID
7988
Wikipedia Title
Triphenyl_phosphate

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.0876536  LogD (pH = 7.4) 5.0876536 
Log P 5.0876536  Molar Refractivity 87.4316 cm3
Polarizability 34.795486 Å3 Polar Surface Area 44.76 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
organic solvents expand Show data source
Apperance
colourless liquid expand Show data source
Melting Point
48-50 °C expand Show data source
48-50 °C(lit.) expand Show data source
48-52°C expand Show data source
Boiling Point
244 °C 10 mm Hg expand Show data source
244 °C/10 mmHg(lit.) expand Show data source
247-250°C/11mm expand Show data source
Flash Point
1.4 °F expand Show data source
-17 °C expand Show data source
-19 °C expand Show data source
-2.2 °F expand Show data source
220 °C expand Show data source
223°C(433°F) expand Show data source
428 °F expand Show data source
Density
1.184 g/mL expand Show data source
Vapor Pressure
1.3 mmHg ( 200 °C) expand Show data source
RTECS
TC8400000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1090 expand Show data source
1888 expand Show data source
2398 expand Show data source
3077 expand Show data source
UN3077 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
2 expand Show data source
3 expand Show data source
Hazard Class
3 expand Show data source
6.1 expand Show data source
9 expand Show data source
Packing Group
2 expand Show data source
3 expand Show data source
III expand Show data source
Risk Statements
11-36-51/53-66-67 expand Show data source
22-38-40-48/20/22-51/53 expand Show data source
38-52/53 expand Show data source
50/53 expand Show data source
Safety Statements
16-26-61 expand Show data source
36/37-61 expand Show data source
60-61 expand Show data source
61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
Warning expand Show data source
Main Hazard
harmful expand Show data source
GHS Hazard statements
H225-H319-H336 expand Show data source
H302-H315-H351-H373 expand Show data source
H315 expand Show data source
H315-H351-H373 expand Show data source
H400 expand Show data source
H400-H410 expand Show data source
GHS Precautionary statements
P210-P261-P305 + P351 + P338 expand Show data source
P273 expand Show data source
P273-P391-P501A expand Show data source
P281 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Eyeshields, Gloves expand Show data source
RID/ADR
UN 1090 3/PG 2 expand Show data source
UN 1888 6.1/PG 3 expand Show data source
UN 2398 3/PG 2 expand Show data source
UN 3077 9/PG 3 expand Show data source
Supplemental Hazard Statements
Repeated exposure may cause skin dryness or cracking. expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98.0% (GC) expand Show data source
≥99% expand Show data source
98% expand Show data source
Concentration
0.0485 M expand Show data source
0.0485 M in acetone-d6 (99.9 atom % D) expand Show data source
0.0485 M in chloroform-d (99.8 atom % D) expand Show data source
500 μg/mL in methyl tert-butyl ether expand Show data source
Grade
analytical standard expand Show data source
NMR reference standard expand Show data source
purum expand Show data source
Isotopic Purity
99.8 atom % D expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
ampule of 1 mL expand Show data source
ampule of 1000 mg expand Show data source
Suitability
suitable for 507 per US EPA expand Show data source
Impurities
phenol, none detected expand Show data source
NMR tube O.D. × L
10 mm × 8 in. expand Show data source
5 mm × 8 in. expand Show data source
Feature
standard type internal expand Show data source
NMR tube wall thickness
0.24 mm , ultra-thin wall expand Show data source
NMR tube O.D.
10 mm expand Show data source
3 mm expand Show data source
5 mm expand Show data source
Linear Formula
(C6H5O)3PO expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 733792 external link
Features and Benefits
31P sensitivity
Sigma Aldrich - 241288 external link
Packaging
50 g in glass bottle
Sigma Aldrich - 733741 external link
Features and Benefits
31P sensitivity
Sigma Aldrich - 708968 external link
Features and Benefits
31P sensitivity
Sigma Aldrich - 736368 external link
Features and Benefits
31P sensitivity
Sigma Aldrich - 611735 external link
Features and Benefits
31P sensitivity
Quantity
10mm X 8in. tube, contains 3.175mL
Sigma Aldrich - 551392 external link
Features and Benefits
31P sensitivity
Quantity
5mm X 8in. tube, contains 0.70mL
Toronto Research Chemicals - T808990 external link
Triphenyl Phosphate is used in the insecticidal composition. Also acts as a flame retardant.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Stumpf, N., et al.: J. Econ. Entomol., 94, 1577 (2001)
  • • Ay, R., et al.: J. Pest. Sci., 78, 139 (2001)
  • • Kang, C., et al.: J. Appl. Entomol., 130, 377 (2001)
  • • Xia, X. et al.: J. Elec. Soc., 159, A1834 (2001)
  • • Reaction with a secondary alcohol in the presence of a base, e.g. quinoline, gives the diphenyl phosphate ester of the alcohol. This undergoes thermal elimination in sulfolane or NMP to provide the corresponding alkene. The method has clear advantages in terms of yield and toxicity over analogous routes to alkenes, such as the Chugaev xanthate thermolysis or heating the alcohol in HMPA: Synthesis, 1300 (1995). See also Diphenyl phosphorochloridate, A13546.
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PATENTS

PATENTS

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INTERNET

INTERNET

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