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| CAS No.: | 118078-66-3 |
|---|---|
| Name: | 2-Fluoro-4-trifluoromethyl-pyridine |
| Article Data: | 2 |
| Molecular Structure: | |
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|
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| Formula: | C6H3F4N |
| Molecular Weight: | 165.09 |
| Synonyms: | 2-Fluoro-4-trifluoromethyl-pyridine;pyridine, 2-fluoro-4-(trifluoromethyl)-; |
| EINECS: | 687-071-7 |
| Density: | 1.371 g/cm3 |
| Boiling Point: | 147.936 °C at 760 mmHg |
| Flash Point: | 43.271 °C |
| Solubility: | Miscible with water, alcohol, acetonitrile and N,N-dimethylformamide |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| Safety: | 26-45 |
| PSA: | 12.89000 |
| LogP: | 2.23950 |
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Specification
The 2-Fluoro-4-trifluoromethylpyridine with the cas number 118078-66-3 is also called pyridine, 2-fluoro-4-(trifluoromethyl)-. Its molecular formula is C6H3F4N. This chemical is irritant. While using this chemical, you should be very cautious.
The properties of the chemical are: (1)ACD/LogP:1.25; (2)# of Rule of 5 Violations:0; (3)ACD/LogD (pH 5.5):1.25; (4)ACD/LogD (pH 7.4):1.25; (5)ACD/BCF (pH 5.5):5.25; (6)ACD/BCF (pH 7.4):5.25; (7)ACD/KOC (pH 5.5):114.07; (8)ACD/KOC (pH 7.4):114.07; (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:1.402; (14)Molar Refractivity:29.31 cm3; (15)Molar Volume:120.3 cm3; (16)Polarizability:11.62×10-24cm3; (17)Surface Tension:23.7 dyne/cm; (18)Enthalpy of Vaporization:36.9 kJ/mol; (19)Vapour Pressure:5.48 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccnc(F)c1
(2)InChI: InChI=1/C6H3F4N/c7-5-3-4(1-2-11-5)6(8,9)10/h1-3H
(3)InChIKey: DFNQBXZKPUBEIX-UHFFFAOYAY