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CAS No.: | 50737-29-6 |
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Name: | 5-(Chloromethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C10H9ClN2O |
Molecular Weight: | 208.647 |
Synonyms: | 1,2,4-Oxadiazole, 5-(chloromethyl)-3-(4-methylphenyl)-; |
Density: | 1.242 g/cm3 |
Boiling Point: | 327.8 °C at 760 mmHg |
Flash Point: | 152 °C |
PSA: | 38.92000 |
LogP: | 2.78380 |
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The 5-(Chloromethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole, with the CAS registry number 50737-29-6, is also known as 1,2,4-Oxadiazole, 5-(chloromethyl)-3-(4-methylphenyl)-. This chemical's molecular formula is C10H9ClN2O and molecular weight is 208.6443. What's more, it should be stored in condition of dry and cold.
Physical properties about 5-(Chloromethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole are: (1)ACD/LogP: 2.97; (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: 1.555; (8)Molar Refractivity: 53.91 cm3; (9)Molar Volume: 167.9 cm3; (10)Polarizability: 21.37×10-24cm3; (11)Surface Tension: 45.3 dyne/cm; (12)Density: 1.242 g/cm3; (13)Flash Point: 152 °C; (14)Enthalpy of Vaporization: 54.74 kJ/mol; (15)Boiling Point: 327.8 °C at 760 mmHg; (16)Vapour Pressure: 0.000378 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClCc1nc(no1)c2ccc(cc2)C
(2) InChI: InChI=1/C10H9ClN2O/c1-7-2-4-8(5-3-7)10-12-9(6-11)14-13-10/h2-5H,6H2,1H3
(3) InChIKey: DMBGFZDUDJUQLX-UHFFFAOYAQ