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CAS No.: | 118183-92-9 |
---|---|
Name: | 3-(4-BROMOPHENYL)-5-METHYL-1,2,4-OXADIAZOLE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C9H7BrN2O |
Molecular Weight: | 239.071 |
Synonyms: | 3-(4-Bromophenyl)-5-methyl-1,2,4-oxadiazole; |
Density: | 1.528 g/cm3 |
Melting Point: | 98 ºC |
Boiling Point: | 327.9 ºC at 760 mmHg |
Flash Point: | 152.1 ºC |
Appearance: | White Solid |
Hazard Symbols: | Xn |
Risk Codes: | Harmful:; "> Harmful:; |
Safety: | 26-39 |
PSA: | 38.92000 |
LogP: | 2.80750 |
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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