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Name |
1,2,4-Oxadiazole,3-(4-bromophenyl)- |
EINECS | N/A |
CAS No. | 16013-07-3 | Density | 1.605 g/cm3 |
PSA | 38.92000 | LogP | 2.49910 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H5BrN2O | Boiling Point | 303.1 °C at 760 mmHg |
Molecular Weight | 225.044 | Flash Point | 137.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39 | Risk Codes |
Xi:Irritant; |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1,2,4-Oxadiazole,3-(p-bromophenyl)- (7CI,8CI); |
Article Data | 4 |
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