1,3,4-Oxadiazole,2-(3-bromophenyl)-5-methyl- supplier

Name
2-(3-Bromophenyl)-5-methyl-1,3,4-oxadiazole
EINECS
CAS No. 41491-53-6
Article Data6
CAS DataBase
Density 1.528 g/cm³
Solubility
Melting Point
Formula C₉H₇BrN₂O
Boiling Point 340.8 °C at 760 mmHg
Molecular Weight 239.071
Flash Point 159.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(3-Bromophenyl)-5-methyl-1,3,4-oxadiazole;
PSA 38.92000
LogP 2.80750

1,3,4-Oxadiazole,2-(3-bromophenyl)-5-methyl- Specification

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

Product Name

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

1,3,4-Oxadiazole,2-(3-bromophenyl)-5-methyl- Specification

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