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

The CAS register number of 1,2,4-Oxadiazole,5-(chloromethyl)-3-(4-chlorophenyl)- is 57238-75-2. It also can be called as 5-Chloromethyl-3-(4-chloro-phenyl)-[1,2,4]oxadiazole and the IUPAC name about this chemical is 5-(chloromethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole. The molecular formula about this chemical is C₉H₆Cl₂N₂O and the molecular weight is 229.06.

Physical properties about 1,2,4-Oxadiazole,5-(chloromethyl)-3-(4-chlorophenyl)- are: (1)ACD/LogP: 3.28; (2)ACD/LogD (pH 5.5): 3.28; (3)ACD/LogD (pH 7.4): 3.28; (4)ACD/BCF (pH 5.5): 181.98; (5)ACD/BCF (pH 7.4): 181.98; (6)ACD/KOC (pH 5.5): 1443.21; (7)ACD/KOC (pH 7.4): 1443.21; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 38.92Ų; (11)Index of Refraction: 1.574; (12)Molar Refractivity: 53.98 cm³; (13)Molar Volume: 163.6 cm³; (14)Polarizability: 21.4x10^-24cm³; (15)Surface Tension: 49.5 dyne/cm; (16)Enthalpy of Vaporization: 56.45 kJ/mol; (17)Boiling Point: 343.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000136 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(c1nc(on1)CCl)cc2
(2)InChI: InChI=1/C9H6Cl2N2O/c10-5-8-12-9(13-14-8)6-1-3-7(11)4-2-6/h1-4H,5H2
(3)InChIKey: BJVYSQGEJHKTBW-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H6Cl2N2O/c10-5-8-12-9(13-14-8)6-1-3-7(11)4-2-6/h1-4H,5H2
(5)Std. InChIKey: BJVYSQGEJHKTBW-UHFFFAOYSA-N