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

Name
3-(2-BROMOPHENYL)-5-METHYL-1,2,4-OXADIAZOLE
EINECS
CAS No. 859851-04-0
Density 1.528 g/cm³
Solubility
Melting Point
Formula C₉H₇BrN₂O
Boiling Point 339.7 °C at 760 mmHg
Molecular Weight 239.07
Flash Point 159.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(2-Bromophenyl)-5-methyl-1,2,4-oxadiazole;3-(2-Bromophenyl)-5-methyl-1,2,4-oxadiazole 97%;
PSA 38.92000
LogP 2.80750

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

With the CAS registry number 859851-04-0, the IUPAC name of 1,2,4-Oxadiazole,3-(2-bromophenyl)-5-methyl- is 3-(2-bromophenyl)-5-methyl-1,2,4-oxadiazole. The product's category is Pharmacetical. In addition, its molecular formula is C₉H₇BrN₂O and its molecular weight is 239.07.

The other characteristics of 1,2,4-Oxadiazole,3-(2-bromophenyl)-5-methyl- can be summarized as: (1)ACD/LogP: 2.63; (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)Density: 1.528 g/cm³; (13)Flash Point: 159.3 °C; (14)Enthalpy of Vaporization: 56.01 kJ/mol; (15)Boiling Point: 339.7 °C at 760 mmHg; (16)Vapour Pressure: 0.000178 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1ccccc1c2nc(on2)C
(2)InChI: InChI=1/C9H7BrN2O/c1-6-11-9(12-13-6)7-4-2-3-5-8(7)10/h2-5H,1H3
(3)InChIKey: WLLDZYVHNSXWSY-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H7BrN2O/c1-6-11-9(12-13-6)7-4-2-3-5-8(7)10/h2-5H,1H3
(5)Std. InChIKey: WLLDZYVHNSXWSY-UHFFFAOYSA-N

Product Name

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

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

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