3-(Chloromethyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole supplier

Name
3-(CHLOROMETHYL)-5-(2-FLUOROPHENYL)-1,2,4-OXADIAZOLE
EINECS
CAS No. 844499-00-9
Article Data1
CAS DataBase
Density 1.364 g/cm³
Solubility
Melting Point
Formula C₉H₆ClFN₂O
Boiling Point 319 °C at 760 mmHg
Molecular Weight 212.611
Flash Point 146.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(Chloromethyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole;
PSA 38.92000
LogP 2.61450

3-(Chloromethyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole Specification

The cas register number of 3-(Chloromethyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole is 844499-00-9. It also can be called as 1,2,4-Oxadiazole,3-(chloromethyl)-5-(2-fluorophenyl)- and the Systematic name about this chemical is 3-(chloromethyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole.

Physical properties about 3-(Chloromethyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole are: (1)ACD/LogP: 1.82; (2)ACD/LogD (pH 5.5): 1.82; (3)ACD/LogD (pH 7.4): 1.82; (4)ACD/BCF (pH 5.5): 14.27; (5)ACD/BCF (pH 7.4): 14.27; (6)ACD/KOC (pH 5.5): 233.33; (7)ACD/KOC (pH 7.4): 233.33; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 38.92Å²; (11)Index of Refraction: 1.542; (12)Molar Refractivity: 49.08 cm³; (13)Molar Volume: 155.8 cm³; (14)Polarizability: 19.45x10^-24cm³; (15)Surface Tension: 45.7 dyne/cm; (16)Enthalpy of Vaporization: 53.82 kJ/mol; (17)Vapour Pressure: 0.000652 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(c(c1)c2nc(no2)CCl)F
(2)InChI: InChI=1/C9H6ClFN2O/c10-5-8-12-9(14-13-8)6-3-1-2-4-7(6)11/h1-4H,5H2
(3)InChIKey: ZIPXONDQMIHZSE-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H6ClFN2O/c10-5-8-12-9(14-13-8)6-3-1-2-4-7(6)11/h1-4H,5H2
(5)Std. InChIKey: ZIPXONDQMIHZSE-UHFFFAOYSA-N

Product Name

3-(CHLOROMETHYL)-5-(2-FLUOROPHENYL)-1,2,4-OXADIAZOLE

3-(Chloromethyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole Specification

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