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CAS No.: | 325-13-3 |
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Name: | 6-(TRIFLUOROMETHYL)QUINOLINE,95% MIN(HPLC) |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C10H6F3N |
Molecular Weight: | 197.15700 |
Synonyms: | 6-Trifluoromethylquinoline; |
Density: | 1.31 g/cm3 |
Melting Point: | 39 °C |
Boiling Point: | 243.70 °C at 760 mmHg |
Flash Point: | 101.19 °C |
PSA: | 12.89000 |
LogP: | 3.25360 |
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This chemical is called Quinoline,6-(trifluoromethyl)-, and its systematic name is 6-(trifluoromethyl)quinoline. With the molecular formula of C10H6F3N. The CAS registry number of this chemical is 325-13-3. Additionally, its product categories are quinoline.
Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 60; (6)ACD/BCF (pH 7.4): 61; (7)ACD/KOC (pH 5.5): 648; (8)ACD/KOC (pH 7.4): 663; (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: 1.54; (14)Molar Refractivity: 47.166 cm3; (15)Molar Volume: 150.284 cm3; (16)Polarizability: 18.698×10-24cm3; (17)Surface Tension: 33.838 dyne/cm; (18)Density: 1.312 g/cm3; (19)Flash Point: 101.187 °C; (20)Enthalpy of Vaporization: 46.125 kJ/mol; (21)Boiling Point: 243.701 °C at 760 mmHg; (22)Vapour Pressure: 0.049 mmHg at 25°C.
Uses of this chemical: The Quinoline,6-(trifluoromethyl)- could decompose and product the 6-trifluoromethyl-1,2,3,4-tetrahydroquinoline and 6-trifluoromethyl-5,6,7,8-tetrahydroquinoline. This reaction needs the reagent of hydrogen, the solvent of trifluoroacetic acid and the catalyst of platinum oxide. In addition, the yield of this reaction is 30%.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c1ccc2ncccc2c1
2.InChI: InChI=1/C10H6F3N/c11-10(12,13)8-3-4-9-7(6-8)2-1-5-14-9/h1-6H
3.InChIKey: YVALNRPQHHRMNT-UHFFFAOYAT