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CAS No.: | 16013-07-3 |
---|---|
Name: | 3-(4-BROMOPHENYL)-1,2,4-OXADIAZOLE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H5BrN2O |
Molecular Weight: | 225.044 |
Synonyms: | 1,2,4-Oxadiazole,3-(p-bromophenyl)- (7CI,8CI); |
Density: | 1.605 g/cm3 |
Boiling Point: | 303.1 °C at 760 mmHg |
Flash Point: | 137.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
Safety: | 26-39 |
PSA: | 38.92000 |
LogP: | 2.49910 |
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The 1,2,4-Oxadiazole,3-(4-bromophenyl)- is an organic compound with the formula C8H5BrN2O. The systematic name of this chemical is 3-(4-Bromophenyl)-1,2,4-oxadiazole. And the CAS registry number of this chemical is 16013-07-3. The product's categories are Blocks; Bromides; Heterocycles. Besides, its molecular weight is 225.0421.
Physical properties about 1,2,4-Oxadiazole,3-(4-bromophenyl)- are: (1)ACD/LogP: 2.65; (2)ACD/LogD (pH 5.5): 2.65; (3)ACD/LogD (pH 7.4): 2.65; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 38.92 Å2; (7)Index of Refraction: 1.585; (8)Molar Refractivity: 47.01 cm3; (9)Molar Volume: 140.1 cm3; (10)Polarizability: 18.63×10-24 cm3; (11)Surface Tension: 50.3 dyne/cm; (12)Density: 1.605 g/cm3; (13)Flash Point: 137.1 °C; (14)Enthalpy of Vaporization: 52.17 kJ/mol; (15)Boiling Point: 303.1 °C at 760 mmHg; (16)Vapour Pressure: 0.0017 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H5BrN2O/c9-7-3-1-6(2-4-7)8-10-5-12-11-8/h1-5H
(2)InChIKey: OOQNOWMRFJKXTC-UHFFFAOYAJ
(3)Std. InChI: InChI=1S/C8H5BrN2O/c9-7-3-1-6(2-4-7)8-10-5-12-11-8/h1-5H
(4)Std. InChIKey: OOQNOWMRFJKXTC-UHFFFAOYSA-N