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597-82-0

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Basic Information
CAS No.: 597-82-0
Name: TRIPHENYL PHOSPHOROTHIONATE
Article Data: 43
Molecular Structure:
Molecular Structure of 597-82-0 (TRIPHENYL PHOSPHOROTHIONATE)
Formula: C18H15 O3 P S
Molecular Weight: 342.355
Synonyms: Phenylphosphorothioate ((PhO)3PS) (6CI,7CI); NSC 57867; O,O,O-Triphenylphosphorothioate; O,O,O-Triphenyl thiophosphate; Thiophosphoric acid triphenylester; Triphenoxyphosphine sulfide; Triphenyl phosphorothioate; Triphenylphosphorothionate; Triphenyl thiophosphate
Density: 1.288g/cm3
Melting Point: 48 °C
Boiling Point: 432.1°Cat760mmHg
Flash Point: 215.1°C
Solubility: 20μg/L at 20℃
PSA: 69.59000
LogP: 6.09850
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Synthetic route

Conditions
ConditionsYield
With sodium methylate
With sodium hydroxide

A

B

...Expand
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Downstream Products
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Chemistry

Molecular Structure of Phosphorothioic acid,O,O,O-triphenyl ester (CAS NO.597-82-0):

IUPAC Name: triphenoxy(sulfanylidene)-$l^{5}-phosphane 
Empirical Formula: C18H15O3PS
Molecular Weight: 342.3487
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 69.59 Å2
Index of Refraction: 1.633
Molar Refractivity: 94.93 cm3
Molar Volume: 265.7 cm3
Surface Tension: 54.4 dyne/cm
Density: 1.288 g/cm3
Flash Point: 215.1 °C
Enthalpy of Vaporization: 66.13 kJ/mol
Boiling Point: 432.1 °C at 760 mmHg
Vapour Pressure: 2.87E-07 mmHg at 25°C
EINECS: 209-909-9
InChI
InChI=1/C18H15O3PS/c23-22(19-16-10-4-1-5-11-16,20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H
Smiles
O(c1ccccc1)P(Oc1ccccc1)(Oc1ccccc1)=S

Specification

 Phosphorothioic acid,O,O,O-triphenyl ester , with CAS number of 597-82-0, can be called O,O,O-Triphenyl phosphorothioate ; Phenyl phosphorothioate, (PhO)3PS ; Thiophosphoric acid triphenyl ester ; Triphenyl phosphorothioate .