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CAS No.: | 175203-79-9 |
---|---|
Name: | 1-[2-(TRIFLUOROMETHYL)QUINOL-4-YL]PIPERAZINE |
Molecular Structure: | |
Formula: | C14H14F3N3 |
Molecular Weight: | 281.28 |
Synonyms: | 1-[2-(Trifluoromethyl)quinol-4-yl]piperazine;4-Piperazin-1-yl-2-(trifluoromethyl)quinoline;BUTTPARK 29\04-04;1-[2-(Trifluoromethyl)quinol-4-yl]piperazine 97%;4-piperazino-2-(trifluoromethyl)quinoline; |
Density: | 1.286 g/cm3 |
Melting Point: | 133-135°C |
Boiling Point: | 399.3 °C at 760 mmHg |
Flash Point: | 195.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
Safety: | 45 |
PSA: | 28.16000 |
LogP: | 3.05700 |
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The CAS register number of Quinoline,4-(1-piperazinyl)-2-(trifluoromethyl)- is 175203-79-9. It also can be called as 1-[2-(Trifluoromethyl)quinol-4-yl]piperazine and the IUPAC name about this chemical is 4-piperazin-1-yl-2-(trifluoromethyl)quinoline. The molecular formula about this chemical is C14H14F3N3 and the molecular weight is 281.28. This chemical is irritant and it may cause inflammation to the skin or other mucous membranes.
Physical properties about Quinoline,4-(1-piperazinyl)-2-(trifluoromethyl)- are: (1)ACD/LogP: 2.30; (2)ACD/LogD (pH 5.5): -0.17; (3)ACD/LogD (pH 7.4): 1.63; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 7.09; (6)ACD/KOC (pH 5.5): 1.45; (7)ACD/KOC (pH 7.4): 91.45; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 19.37 Å2; (12)Index of Refraction: 1.56; (13)Molar Refractivity: 70.71 cm3; (14)Molar Volume: 218.5 cm3; (15)Polarizability: 28.03x10-24cm3; (16)Surface Tension: 40.4 dyne/cm; (17)Density: 1.286 g/cm3; (18)Flash Point: 195.3 °C; (19)Enthalpy of Vaporization: 65 kJ/mol; (20)Boiling Point: 399.3 °C at 760 mmHg; (21)Vapour Pressure: 1.38E-06 mmHg at 25 °C.
Uses of Quinoline,4-(1-piperazinyl)-2-(trifluoromethyl)-: it can be used to produce 4-(2-trifluoromethyl-quinolin-4-yl)-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide with 4-phenoxy-phenyl isocyanate. The yield is about 41%.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1nc3c(c(c1)N2CCNCC2)cccc3
(2)InChI: InChI=1/C14H14F3N3/c15-14(16,17)13-9-12(20-7-5-18-6-8-20)10-3-1-2-4-11(10)19-13/h1-4,9,18H,5-8H2
(3)InChIKey: VCJGCFMRAFRJNE-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C14H14F3N3/c15-14(16,17)13-9-12(20-7-5-18-6-8-20)10-3-1-2-4-11(10)19-13/h1-4,9,18H,5-8H2
(5)Std. InChIKey: VCJGCFMRAFRJNE-UHFFFAOYSA-N