3-(4-Bromophenyl)-5-methyl-1,2,4-oxadiazole supplier

Name
3-(4-BROMOPHENYL)-5-METHYL-1,2,4-OXADIAZOLE
EINECS
CAS No. 118183-92-9
Article Data12
CAS DataBase
Density 1.528 g/cm³
Solubility
Melting Point 98 ºC
Formula C₉H₇BrN₂O
Boiling Point 327.9 ºC at 760 mmHg
Molecular Weight 239.071
Flash Point 152.1 ºC
Transport Information
Appearance White Solid
Safety 26-39
Risk Codes Harmful:;
Molecular Structure
Hazard Symbols Xn
Synonyms 3-(4-Bromophenyl)-5-methyl-1,2,4-oxadiazole;
PSA 38.92000
LogP 2.80750

3-(4-Bromophenyl)-5-methyl-1,2,4-oxadiazole Specification

The 3-(4-Bromophenyl)-5-methyl-1,2,4-oxadiazole with cas registry number of 118183-92-9, belongs to the following product categories: (1)blocks; (2)Bromides; (3)Heterocycles. And its systematic name is 3-(4-bromophenyl)-5-methyl-1,2,4-oxadiazole. And its hazard note is harmful.

Physical properties about this chemical are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 38.92 Å²; (7)Index of Refraction: 1.577; (8)Molar Refractivity: 51.84 cm³; (9)Molar Volume: 156.4 cm³; (10)Polarizability: 20.55×10^-24cm³; (11)Surface Tension: 47.6 dyne/cm; (12)Enthalpy of Vaporization: 54.76 kJ/mol; (13)Vapour Pressure: 0.000375 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:Brc2ccc(c1nc(on1)C)cc2;
(2)InChI:InChI=1/C9H7BrN2O/c1-6-11-9(12-13-6)7-2-4-8(10)5-3-7/h2-5H,1H3;
(3)InChIKey:YWBIOYGLRGIJRT-UHFFFAOYAX;
(4)Std. InChI:InChI=1S/C9H7BrN2O/c1-6-11-9(12-13-6)7-2-4-8(10)5-3-7/h2-5H,1H3;
(5)Std. InChIKey:YWBIOYGLRGIJRT-UHFFFAOYSA-N

Product Name

3-(4-BROMOPHENYL)-5-METHYL-1,2,4-OXADIAZOLE

3-(4-Bromophenyl)-5-methyl-1,2,4-oxadiazole Specification

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