5-Benzyl-3-(4-bromophenyl)-1,2,4-oxadiazole supplier

Name
3-(4-Bromophenyl)-5-phenyl-1,2,4-oxadiazole
EINECS
CAS No. 65004-19-5
Article Data9
CAS DataBase
Density 1.465 g/cm³
Solubility
Melting Point
Formula C₁₄H₉BrN₂O
Boiling Point 418.7 °C at 760 mmHg
Molecular Weight 301.142
Flash Point 207 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(4-Bromophenyl)-5-phenyl-1,2,4-oxadiazole;
PSA 38.92000
LogP 4.16610

5-Benzyl-3-(4-bromophenyl)-1,2,4-oxadiazole Specification

The 5-Benzyl-3-(4-bromophenyl)-1,2,4-oxadiazole with CAS registry number of 827332-78-5 is also called 3-(4-Bromophenyl)-5-phenyl-1,2,4-oxadiazole. The IUPAC name is 3-(2-bromophenyl)-5-phenyl-1,2,4-oxadiazole. In addition, the formula is C₁₄H₉BrN₂O and the molecular weight is 301.1381.

Physical properties about this chemical are: (1)ACD/LogP: 5.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.09; (4)ACD/LogD (pH 7.4): 5.09; (5)ACD/BCF (pH 5.5): 4346.55; (6)ACD/BCF (pH 7.4): 4346.55; (7)ACD/KOC (pH 5.5): 13988.7; (8)ACD/KOC (pH 7.4): 13988.7; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.92 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 71.6 cm³; (15)Molar Volume: 205.4 cm³; (16)Polarizability: 28.38 ×10^-24cm³; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.465 g/cm³; (19)Flash Point: 207 °C; (20)Enthalpy of Vaporization: 64.62 kJ/mol; (21)Boiling Point: 418.7 °C at 760 mmHg; (22)Vapour Pressure: 7.84E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc3ccc(c1nc(on1)c2ccccc2)cc3
(2)InChI: InChI=1/C14H9BrN2O/c15-12-8-6-10(7-9-12)13-16-14(18-17-13)11-4-2-1-3-5-11/h1-9H
(3)InChIKey: GLBNCUMZRRDBRP-UHFFFAOYAJ

Product Name

3-(4-Bromophenyl)-5-phenyl-1,2,4-oxadiazole

5-Benzyl-3-(4-bromophenyl)-1,2,4-oxadiazole Specification

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