tert-Butylphenyl diphenyl phosphate

The CAS register number of tert-Butylphenyl diphenyl phosphate is 56803-37-3. It also can be called as Phosphoric acid (1,1-dimethylethyl)phenyl diphenyl ester and the IUPAC name about this chemical is (4-tert-butylphenyl) diphenyl phosphate. The molecular formula about this chemical is C₂₂H₂₃O₄P and molecular weight is 382.39. Classification code about this chemical is TSCA Flag T [Subject to the Section 4 test rule under TSCA]. This chemical can be used as a flame retardant plasticizer for polyvinyl chloride, flame retardant plasticizer for other vinyl polymers, flame retardant plasticizer for cellulosics.

Physical properties about tert-Butylphenyl diphenyl phosphate are: (1)ACD/LogP: 5.79; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.79; (4)ACD/LogD (pH 7.4): 5.79; (5)ACD/BCF (pH 5.5): 14683.65; (6)ACD/BCF (pH 7.4): 14683.65; (7)ACD/KOC (pH 5.5): 33435.48; (8)ACD/KOC (pH 7.4): 33435.48; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 54.57Ų; (12)Index of Refraction: 1.567; (13)Molar Refractivity: 106.05 cm³; (14)Molar Volume: 324.5 cm³; (15)Polarizability: 42.04x10^-24cm³; (16)Surface Tension: 42.4 dyne/cm; (17)Enthalpy of Vaporization: 66.24 kJ/mol; (18)Boiling Point: 433.1 °C at 760 mmHg; (19)Vapour Pressure: 2.66E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(Oc1ccccc1)(Oc2ccc(cc2)C(C)(C)C)Oc3ccccc3
(2)InChI: InChI=1/C22H23O4P/c1-22(2,3)18-14-16-21(17-15-18)26-27(23,24-19-10-6-4-7-11-19)25-20-12-8-5-9-13-20/h4-17H,1-3H3
(3)InChIKey: ULGAVXUJJBOWOD-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C22H23O4P/c1-22(2,3)18-14-16-21(17-15-18)26-27(23,24-19-10-6-4-7-11-19)25-20-12-8-5-9-13-20/h4-17H,1-3H3
(5)Std. InChIKey: ULGAVXUJJBOWOD-UHFFFAOYSA-N