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| CAS No.: | 1620-71-9 |
|---|---|
| Name: | CHEMPACIFIC 38184 |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H6F3N |
| Molecular Weight: | 161.12 |
| Synonyms: | CHEMPACIFIC 38184;5-Methyl-2-trifluoromethyl-pyridine; |
| Density: | 1.216 g/cm3 |
| Boiling Point: | 147.2 °C at 760 mmHg |
| Flash Point: | 42.8 °C |
| PSA: | 12.89000 |
| LogP: | 2.40880 |
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Specification
The Pyridine, 5-methyl-2-(trifluoromethyl)- has CAS registry number 1620-71-9. This chemical's molecular formula is C7H6F3N and molecular weight is 161.12. What's more, its systematic name is 5-Methyl-2-(trifluoromethyl)pyridine.
Physical properties about Pyridine, 5-methyl-2-(trifluoromethyl)- are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 12.76; (6)ACD/BCF (pH 7.4): 12.76; (7)ACD/KOC (pH 5.5): 215.42; (8)ACD/KOC (pH 7.4): 215.42; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.429; (14)Molar Refractivity: 34.14 cm3; (15)Molar Volume: 132.4 cm3; (16)Polarizability: 13.53×10-24 cm3; (17)Surface Tension: 25 dyne/cm; (18)Density: 1.216 g/cm3; (19)Flash Point: 42.8 °C; (20)Enthalpy of Vaporization: 36.83 kJ/mol; (21)Boiling Point: 147.2 °C at 760 mmHg; (22)Vapour Pressure: 5.66 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cnc(cc1)C(F)(F)F
(2) InChI: InChI=1/C7H6F3N/c1-5-2-3-6(11-4-5)7(8,9)10/h2-4H,1H3
(3) InChIKey: HALCBPJUGWBVBU-UHFFFAOYAB