CAS No.13291-46-8,bis (benzyl diphenylphosphine) iminium chloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13291-46-8
Name:	bis (benzyl diphenylphosphine) iminium chloride
Article Data:	8

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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Specification

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