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137769-29-0

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Basic Information
CAS No.: 137769-29-0
Name: (S)-(-)-2-(Diphenylphosphoryl)-2'-ethyl-1,1'-binaphthyl
Article Data: 3
Molecular Structure:
Molecular Structure of 137769-29-0 ((S)-(-)-2-(Diphenylphosphoryl)-2'-ethyl-1,1'-binaphthyl)
Formula: C34H27OP
Molecular Weight: 482.562
Synonyms: (S)-(-)-2-(DIPHENYLPHOSPHORYL)-2-ETHYL-1,1-BINAPHTHYL
Density: 1.23 g/cm3
Boiling Point: 683.932 °C at 760 mmHg
Flash Point: 367.429 °C
PSA: 26.88000
LogP: 7.86180
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Specification

The (S)-(-)-2-(Diphenylphosphoryl)-2'-ethyl-1,1'-binaphthyl, with CAS registry number 137769-29-0, has the systematic name of (2'-ethyl-1,1'-binaphthalen-2-yl)(diphenyl)phosphane oxide. Besides this, it is also called phosphorane, (2'-ethyl[1,1'-binaphthalen]-2-yl)diphenyl-, oxide. And the chemical formula of this chemical is C34H27OP.

Physical properties of (S)-(-)-2-(Diphenylphosphoryl)-2'-ethyl-1,1'-binaphthyl: (1)ACD/LogP: 8.17; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 26.88 Å2; (7)Index of Refraction: 1.702; (8)Molar Refractivity: 151.987 cm3; (9)Molar Volume: 392.161 cm3; (10)Polarizability: 60.252×10-24cm3; (11)Surface Tension: 58.125 dyne/cm; (12)Enthalpy of Vaporization: 96.707 kJ/mol; (13)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(c1ccccc1)(c2ccccc2)c6ccc3c(cccc3)c6c4c5c(ccc4CC)cccc5
(2)InChI: InChI=1/C34H27OP/c1-2-25-21-22-26-13-9-11-19-30(26)33(25)34-31-20-12-10-14-27(31)23-24-32(34)36(35,28-15-5-3-6-16-28)29-17-7-4-8-18-29/h3-24H,2H2,1H3
(3)InChIKey: YIVJHLVLOKOIQO-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C34H27OP/c1-2-25-21-22-26-13-9-11-19-30(26)33(25)34-31-20-12-10-14-27(31)23-24-32(34)36(35,28-15-5-3-6-16-28)29-17-7-4-8-18-29/h3-24H,2H2,1H3
(5)Std. InChIKey: YIVJHLVLOKOIQO-UHFFFAOYSA-N