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Name |
1,3,4-Oxadiazole,2-(3-bromophenyl)-5-methyl- |
EINECS | N/A |
CAS No. | 41491-53-6 | Density | 1.528 g/cm3 |
PSA | 38.92000 | LogP | 2.80750 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H7BrN2O | Boiling Point | 340.8 °C at 760 mmHg |
Molecular Weight | 239.071 | Flash Point | 159.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-(3-Bromophenyl)-5-methyl-1,3,4-oxadiazole; |
Article Data | 6 |
The 1,3,4-Oxadiazole,2-(3-bromophenyl)-5-methyl- has the CAS registry number 41491-53-6. It belongs to the product categories of Azoles; Blocks; Bromides. This chemical's molecular formula is C9H7BrN2O and molecular weight is 239.07. What's more, its systematic name is 2-(3-Bromophenyl)-5-methyl-1,3,4-oxadiazole.
Physical properties of 1,3,4-Oxadiazole,2-(3-bromophenyl)-5-methyl- are: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): 1.54; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 38.92 Å2; (9)Index of Refraction: 1.577; (10)Molar Refractivity: 51.84 cm3; (11)Molar Volume: 156.4 cm3; (12)Polarizability: 20.55×10-24cm3; (13)Surface Tension: 47.6 dyne/cm; (14)Density: 1.528 g/cm3; (15)Flash Point: 159.9 °C; (16)Enthalpy of Vaporization: 56.13 kJ/mol; (17)Boiling Point: 340.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000165 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1nnc(o1)c2cccc(c2)Br
(2)InChI: InChI=1S/C9H7BrN2O/c1-6-11-12-9(13-6)7-3-2-4-8(10)5-7/h2-5H,1H3
(3)InChIKey: KFORTEWAPHTQIB-UHFFFAOYSA-N