Isoxazole,3,5-diphenyl- supplier

Name
3,5-diphenyloxazole
EINECS
CAS No. 2039-49-8
Article Data141
CAS DataBase
Density 1.128g/cm³
Solubility
Melting Point 140 °C
Formula C₁₅H₁₁NO
Boiling Point 396.6 °C at 760 mmHg
Molecular Weight 221.258
Flash Point 162.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5-Diphenyl-1,2-oxazole;3,5-Diphenylisoxazole;NSC 5565;
PSA 26.03000
LogP 4.00860

Isoxazole,3,5-diphenyl- Specification

The Isoxazole,3,5-diphenyl-, with CAS registry number 2039-49-8, has the systematic name of 3,5-diphenyl-1,2-oxazole. Besides this, it is also called 3,5-Diphenyl-isoxazole. And the chemical formula of this chemical is C₁₅H₁₁NO.

Physical properties of Isoxazole,3,5-diphenyl-: (1)ACD/LogP: 4.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.32; (4)ACD/LogD (pH 7.4): 4.32; (5)ACD/BCF (pH 5.5): 1137.97; (6)ACD/BCF (pH 7.4): 1137.97; (7)ACD/KOC (pH 5.5): 5360.15; (8)ACD/KOC (pH 7.4): 5360.15; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.03 Å²; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 65.82 cm³; (15)Molar Volume: 196 cm³; (16)Polarizability: 26.09×10^-24cm³; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.128 g/cm³; (19)Flash Point: 162.3 °C; (20)Enthalpy of Vaporization: 62.16 kJ/mol; (21)Boiling Point: 396.6 °C at 760 mmHg; (22)Vapour Pressure: 3.87E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1oc(cc1c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C15H11NO/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11H
(3)InChIKey: HECRDSFKLUVCAY-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C15H11NO/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11H
(5)Std. InChIKey: HECRDSFKLUVCAY-UHFFFAOYSA-N

Product Name

3,5-diphenyloxazole

Isoxazole,3,5-diphenyl- Specification

Related Products

Hot Products