1,2,4-Oxadiazole,3-bromo-5-phenyl- supplier

Name
3-BROMO-5-PHENYL-[1,2,4]OXADIAZOLE
EINECS
CAS No. 23432-94-2
Article Data2
CAS DataBase
Density 1.605 g/cm³
Solubility
Melting Point 68 °C
Formula C₈H₅BrN₂O
Boiling Point 318.8 °C at 760 mmHg
Molecular Weight 225.044
Flash Point 146.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Bromo-5-phenyl-1,2,4-oxadiazole;
PSA 38.92000
LogP 2.49910

1,2,4-Oxadiazole,3-bromo-5-phenyl- Specification

This chemical is called 1,2,4-Oxadiazole,3-bromo-5-phenyl-, and its systematic name is 3-bromo-5-phenyl-1,2,4-oxadiazole. With the molecular formula of C₈H₅BrN₂O, its molecular weight is 225.04. The CAS registry number of this chemical is 23432-94-2.

Other characteristics of the 1,2,4-Oxadiazole,3-bromo-5-phenyl- can be summarised as followings: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.13; (4)ACD/LogD (pH 7.4): 3.13; (5)ACD/BCF (pH 5.5): 141.5; (6)ACD/BCF (pH 7.4): 141.5; (7)ACD/KOC (pH 5.5): 1205.36; (8)ACD/KOC (pH 7.4): 1205.36; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.92 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 47.01 cm³; (15)Molar Volume: 140.1 cm³; (16)Polarizability: 18.63×10^-24cm³; (17)Surface Tension: 50.3 dyne/cm; (18)Density: 1.605 g/cm³; (19)Flash Point: 146.6 °C; (20)Enthalpy of Vaporization: 53.8 kJ/mol; (21)Boiling Point: 318.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000658 mmHg at 25°C.

Uses of this chemical: The 3-azido-5-phenyl-[1,2,4]oxadiazole could be obtained by the reactant of 1,2,4-Oxadiazole,3-bromo-5-phenyl-. This reaction needs the reagent of LiN₃, and the solvent of dimethylformamide. The yield is 50 %. This reaction should be taken for 45 hours at the temperature of 90 °C.

The 3-azido-5-phenyl-[1,2,4]oxadiazole could be obtained by the reactant of 1,2,4-Oxadiazole,3-bromo-5-phenyl-

You can still convert the following datas into molecular structure:
1.SMILES: Brc1nc(on1)c2ccccc2
2.InChI: InChI=1/C8H5BrN2O/c9-8-10-7(12-11-8)6-4-2-1-3-5-6/h1-5H
3.InChIKey: WJLDWMUZNIQXET-UHFFFAOYAO

Product Name

3-BROMO-5-PHENYL-[1,2,4]OXADIAZOLE

1,2,4-Oxadiazole,3-bromo-5-phenyl- Specification

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