Name: (S)-VANOL
SKU: 147702-13-4

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Basic Information

CAS No.:

147702-13-4

Name:

(S)-VANOL

Article Data:

Molecular Structure:

Formula:

C32H22 O2

Molecular Weight:

438.525

Synonyms:

[2,2'-Binaphthalene]-1,1'-diol,3,3'-diphenyl-, (R)-;(R)-VANOL;

Density:

1.251g/cm³

Melting Point:

200-204 °C

Boiling Point:

580.1°C at 760 mmHg

Flash Point:

251.8°C

Hazard Symbols:

Risk Codes:

37/38-41

Safety:

Hazard Codes	Xi
Risk Statements	37/38-41
Safety Statements	26-39

PSA:

40.46000

LogP:

8.40520

Total:24 Page 1 of 1 1

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Specification

The 3,3'-Diphenyl-2,2'-binaphthalene-1,1'-diol, with the CAS registry number 147702-13-4. It belongs to the product categories of organic matter.This chemical's molecular formula is C₃₂H₂₂O₂ and molecular weight is 438.51. Its systematic name is 3,3'-Diphenyl-2,2'-binaphthalene-1,1'-diol.

Physical properties about 3,3'-Diphenyl-2,2'-binaphthalene-1,1'-diol are: (1)ACD/LogP: 7.051; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.05; (4)ACD/LogD (pH 7.4): 6.88; (5)ACD/BCF (pH 5.5): 133783.60; (6)ACD/BCF (pH 7.4): 90210.17; (7)ACD/KOC (pH 5.5): 162295.40; (8)ACD/KOC (pH 7.4): 109435.60; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.727; (13)Molar Refractivity: 139.477 cm³; (14)Molar Volume: 350.379 cm³; (15)Polarizability: 55.293 10-24cm³ ; (16)Surface Tension: 57.5470008850098 dyne/cm; (17)Density: 1.252 g/cm³; (18)Flash Point: 251.737 °C; (19)Enthalpy of Vaporization: 89.992 kJ/mol; (20)Boiling Point: 580.072 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C;

3,3'-Diphenyl-2,2'-binaphthalene-1,1'-diol may cause damage to health. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately .

You can still convert the following datas into molecular structure:
(1)SMILES:Oc5c6c(cc(c1ccccc1)c5c3c(cc2ccccc2c3O)c4ccccc4)cccc6;
(2)InChI:InChI=1S/C32H22O2/c33-31-25-17-9-7-15-23(25)19-27(21-11-3-1-4-12-21)29(31)30-28(22-13-5-2-6-14-22)20-24-16-8-10-18-26(24)32(30)34/h1-20,33-34H;
(3)InChIKey:NDTDVKKGYBULHF-UHFFFAOYSA-N;