1-[2-(Trifluoromethyl)benzyl]piperazine supplier

Name
1-[2-(Trifluoromethyl)benzyl]piperazine
EINECS 301-592-6
CAS No. 94022-97-6
Density 1.189 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅F₃N₂
Boiling Point 274.1 °C at 760 mmHg
Molecular Weight 244.26
Flash Point 107.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(2-Trifluoromethylbenzyl)piperazine;1-[[2-(Trifluoromethyl)phenyl]methyl]piperazine;
PSA 15.27000
LogP 2.37730

1-[2-(Trifluoromethyl)benzyl]piperazine Specification

The 1-[2-(Trifluoromethyl)benzyl]piperazine, with CAS registry number 94022-97-6, has the systematic name of 1-[2-(trifluoromethyl)benzyl]piperazine. And its IUPAC name is 1-[[2-(trifluoromethyl)phenyl]methyl]piperazine. Besides this, it is also called piperazine, 1-[[2-(trifluoromethyl)phenyl]methyl]-.

Physical properties about this chemical are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.04; (4)ACD/LogD (pH 7.4): 0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 6.15; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 59.5 cm³; (15)Molar Volume: 205.3 cm³; (16)Polarizability: 23.59×10^-24cm³; (17)Surface Tension: 32.6 dyne/cm; (18)Enthalpy of Vaporization: 51.25 kJ/mol; (19)Vapour Pressure: 0.0055 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1c(cccc1)CN2CCNCC2
(2)InChI: InChI=1/C12H15F3N2/c13-12(14,15)11-4-2-1-3-10(11)9-17-7-5-16-6-8-17/h1-4,16H,5-9H2
(3)InChIKey: MJBOPIADUICXHW-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C12H15F3N2/c13-12(14,15)11-4-2-1-3-10(11)9-17-7-5-16-6-8-17/h1-4,16H,5-9H2
(5)Std. InChIKey: MJBOPIADUICXHW-UHFFFAOYSA-N

Product Name

1-[2-(Trifluoromethyl)benzyl]piperazine

1-[2-(Trifluoromethyl)benzyl]piperazine Specification

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