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CAS No.: | 5373-86-4 |
---|---|
Name: | 3-(4-Methylphenyl)-5-(trichloromethyl)-1,2,4-oxadiazole |
Molecular Structure: | |
Formula: | C10H7Cl3N2O |
Molecular Weight: | 277.53 |
Synonyms: | 3-p-toly-5-(trichloromethyl)-1,2,4-oxadiazole |
Density: | 1.448 g/cm3 |
Melting Point: | 70.0-70.5 °C |
Boiling Point: | 326.8 °C at 760 mmHg |
Flash Point: | 151.5 °C |
PSA: | 38.92000 |
LogP: | 3.87170 |
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The CAS register number of 3-(4-Methylphenyl)-5-(trichloromethyl)-1,2,4-oxadiazole is 5373-86-4. The systematic name about this chemical is 3-(4-methylphenyl)-5-(trichloromethyl)-1,2,4-oxadiazole. The molecular formula about this chemical is C10H7Cl3N2O and molecular weight is 277.53.
Physical properties about 3-(4-Methylphenyl)-5-(trichloromethyl)-1,2,4-oxadiazole are: (1)ACD/LogP: 4.68; (2)ACD/LogD (pH 5.5): 4.68; (3)ACD/LogD (pH 7.4): 4.68; (4)ACD/BCF (pH 5.5): 2108.89; (5)ACD/BCF (pH 7.4): 2108.89; (6)ACD/KOC (pH 5.5): 8335.93; (7)ACD/KOC (pH 7.4): 8335.93; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 38.92Å2; (11)Index of Refraction: 1.573; (12)Molar Refractivity: 63.18 cm3; (13)Molar Volume: 191.5 cm3; (14)Polarizability: 25.04x10-24cm3; (15)Surface Tension: 48.1 dyne/cm; (16)Enthalpy of Vaporization: 54.65 kJ/mol; (17)Boiling Point: 326.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)(Cl)c1nc(no1)c2ccc(cc2)C
(2)InChI: InChI=1/C10H7Cl3N2O/c1-6-2-4-7(5-3-6)8-14-9(16-15-8)10(11,12)13/h2-5H,1H3
(3)InChIKey: VBPKDZSGMVLXEN-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C10H7Cl3N2O/c1-6-2-4-7(5-3-6)8-14-9(16-15-8)10(11,12)13/h2-5H,1H3
(5)Std. InChIKey: VBPKDZSGMVLXEN-UHFFFAOYSA-N