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CAS No.: | 13291-46-8 |
---|---|
Name: | bis (benzyl diphenylphosphine) iminium chloride |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C18H15O3P |
Molecular Weight: | 310.289 |
Synonyms: | Hydroquinone,(diphenylphosphinyl)- (7CI,8CI);2,5-Dihydroxyphenyldiphenylphosphine oxide;2,5-Dihydroxytriphenylphosphine oxide;2-(Diphenylphosphinyl)hydroquinone;Diphenylphosphinylhydroquinone;PPQ; |
Density: | 1.34g/cm3 |
Melting Point: | 214 °C |
Boiling Point: | 573.7 °C at 760 mmHg |
Flash Point: | 300.7 °C |
PSA: | 67.34000 |
LogP: | 2.73720 |
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The 1,4-Benzenediol,2-(diphenylphosphinyl)-, with CAS registry number 13291-46-8, has the systematic name of 2-(diphenylphosphoryl)benzene-1,4-diol. Besides this, it is also called bis (benzyl diphenylphosphine) iminium chloride. And the chemical formula of this chemical is C18H15O3P.
Physical properties of 1,4-Benzenediol,2-(diphenylphosphinyl)-: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.69; (6)ACD/BCF (pH 7.4): 5.55; (7)ACD/KOC (pH 5.5): 120.76; (8)ACD/KOC (pH 7.4): 117.96; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 45.34 Å2; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 85.96 cm3; (15)Molar Volume: 230 cm3; (16)Polarizability: 34.08×10-24cm3; (17)Surface Tension: 64.9 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 300.7 °C; (20)Enthalpy of Vaporization: 89.15 kJ/mol; (21)Boiling Point: 573.7 °C at 760 mmHg; (22)Vapour Pressure: 9.23E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(c1cc(O)ccc1O)(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C18H15O3P/c19-14-11-12-17(20)18(13-14)22(21,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,19-20H
(3)InChIKey: LLOXZCFOAUCDAE-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C18H15O3P/c19-14-11-12-17(20)18(13-14)22(21,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,19-20H
(5)Std. InChIKey: LLOXZCFOAUCDAE-UHFFFAOYSA-N