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Quinoline,4-(1-piperazinyl)-2-(trifluoromethyl)-

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Name

Quinoline,4-(1-piperazinyl)-2-(trifluoromethyl)-

EINECS N/A
CAS No. 175203-79-9 Density 1.286 g/cm3
PSA 28.16000 LogP 3.05700
Solubility N/A Melting Point 133-135°C
Formula C14H14F3N3 Boiling Point 399.3 °C at 760 mmHg
Molecular Weight 281.28 Flash Point 195.3 °C
Transport Information N/A Appearance N/A
Safety 45 Risk Codes  Xi:Irritant;
Molecular Structure Molecular Structure of 175203-79-9 (1-[2-(TRIFLUOROMETHYL)QUINOL-4-YL]PIPERAZINE) Hazard Symbols IrritantXi
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;

 

Quinoline,4-(1-piperazinyl)-2-(trifluoromethyl)- Specification

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%.

Quinoline,4-(1-piperazinyl)-2-(trifluoromethyl)- can be used to produce 4-(2-trifluoromethyl-quinolin-4-yl)-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide with 4-phenoxy-phenyl isocyanate.

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

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