1,2,4-Oxadiazole,3-(chloromethyl)-5-phenyl- (1201-68-9)

The IUPAC name of 3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole is 3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole. With the CAS registry number 1201-68-9, it is also named as 1,2,4-Oxadiazole,3-(chloromethyl)-5-phenyl-. In addition, its molecular formula is C₉H₇ClN₂O and its molecular weight is 194.62. 

The other characteristics of 3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole can be summarized as: (1)XLogP3-AA: 2.2; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 2; (5)Exact Mass: 194.024691; (6)MonoIsotopic Mass: 194.024691; (7)Topological Polar Surface Area: 38.9; (8)Heavy Atom Count: 13; (9)Complexity: 162; (10)Freely Rotating Bonds: 2 ; (11)Index of Refraction: 1.56; (12)Molar Refractivity: 49.09 cm³; (13)Molar Volume: 151.6 cm³; (14)Polarizability: 19.46×10^-24cm³; (15)Surface Tension: 47.5 dyne/cm; (16)Density: 1.283 g/cm³; (17)Flash Point: 145.5 °C; (18)Melting point: 64 °C; (19)Enthalpy of Vaporization: 53.6 kJ/mol; (20)Boiling Point: 316.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000739 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole is irritating to eyes, respiratory system and skin. And it may cause burns. Please wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES:ClCc1nc(on1)c2ccccc2
(2)InChI:InChI=1/C9H7ClN2O/c10-6-8-11-9(13-12-8)7-4-2-1-3-5-7/h1-5H,6H2
(3)InChIKey:VEIXFEJMHJPUBS-UHFFFAOYAB
(4)Std. InChI:InChI=1S/C9H7ClN2O/c10-6-8-11-9(13-12-8)7-4-2-1-3-5-7/h1-5H,6H2
(5)Std. InChIKey:VEIXFEJMHJPUBS-UHFFFAOYSA-N