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CAS No.: | 36770-21-5 |
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Name: | 2-(1-Chloroethyl)-5-phenyl-1,3,4-oxadiazole |
Molecular Structure: | |
Formula: | C10H9ClN2O |
Molecular Weight: | 208.6443 |
Synonyms: | 2-(1-Chloraethyl)-5-phenyl-1,3,4-oxadiazol; |
Density: | 1.235 g/cm3 |
Boiling Point: | 321.5 °C at 760 mmHg |
Flash Point: | 148.2 °C |
PSA: | 38.92000 |
LogP: | 3.03640 |
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The 2-(1-Chloroethyl)-5-phenyl-1,3,4-oxadiazole, with the CAS registry number 36770-21-5, has the IUPAC name of 2-[(1R)-1-chloroethyl]-5-phenyl-1,3,4-oxadiazole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H9ClN2O.
The characteristics of 2-(1-Chloroethyl)-5-phenyl-1,3,4-oxadiazole are as followings: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 38.92 Å2; (7)Index of Refraction: 1.548; (8)Molar Refractivity: 53.72 cm3; (9)Molar Volume: 168.9 cm3; (10)Polarizability: 21.29×10-24cm3; (11)Surface Tension: 44.6 dyne/cm; (12)Density: 1.235 g/cm3; (13)Flash Point: 148.2 °C; (14)Enthalpy of Vaporization: 54.08 kJ/mol; (15)Boiling Point: 321.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000558 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC(c1nnc(o1)c2ccccc2)C
(2)InChI: InChI=1/C10H9ClN2O/c1-7(11)9-12-13-10(14-9)8-5-3-2-4-6-8/h2-7H,1H3
(3)InChIKey: ZVOVXJOIASPSOO-UHFFFAOYAR