1,2,4-Oxadiazole,3-(4-bromophenyl)- supplier

Name
3-(4-BROMOPHENYL)-1,2,4-OXADIAZOLE
EINECS
CAS No. 16013-07-3
Article Data4
CAS DataBase
Density 1.605 g/cm³
Solubility
Melting Point
Formula C₈H₅BrN₂O
Boiling Point 303.1 °C at 760 mmHg
Molecular Weight 225.044
Flash Point 137.1 °C
Transport Information
Appearance
Safety 26-39
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 1,2,4-Oxadiazole,3-(p-bromophenyl)- (7CI,8CI);
PSA 38.92000
LogP 2.49910

1,2,4-Oxadiazole,3-(4-bromophenyl)- Specification

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

Product Name

3-(4-BROMOPHENYL)-1,2,4-OXADIAZOLE

1,2,4-Oxadiazole,3-(4-bromophenyl)- Specification

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