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3-(4-Methylphenyl)-5-(trichloromethyl)-1,2,4-oxadiazole

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Name

3-(4-Methylphenyl)-5-(trichloromethyl)-1,2,4-oxadiazole

EINECS N/A
CAS No. 5373-86-4 Density 1.448 g/cm3
PSA 38.92000 LogP 3.87170
Solubility N/A Melting Point 70.0-70.5 °C
Formula C10H7Cl3N2O Boiling Point 326.8 °C at 760 mmHg
Molecular Weight 277.53 Flash Point 151.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5373-86-4 (3-(4-Methylphenyl)-5-(trichloromethyl)-1,2,4-oxadiazole) Hazard Symbols N/A
Synonyms

3-p-toly-5-(trichloromethyl)-1,2,4-oxadiazole

 

3-(4-Methylphenyl)-5-(trichloromethyl)-1,2,4-oxadiazole Specification

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

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