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| CAS No.: | 63854-31-9 |
|---|---|
| Name: | 1-(2-TRIFLUOROMETHYLPHENYL)-PIPERAZINE |
| Article Data: | 7 |
| Molecular Structure: | |
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|
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| Formula: | C11H13F3N2 |
| Molecular Weight: | 230.233 |
| Synonyms: | 1-(2-Trifluoromethylphenyl)piperazine;1-(o-Trifluoromethylphenyl)piperazine;4-(2-Trifluoromethylphenyl)piperazine; |
| EINECS: | 264-514-9 |
| Density: | 1.203 g/cm3 |
| Boiling Point: | 297.1 °C at 760 mmHg |
| Flash Point: | 133.5 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 15.27000 |
| LogP: | 2.50880 |
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Specification
The Piperazine, 1-[2-(trifluoromethyl)phenyl]-, with the CAS registry number 63854-31-9, is also known as 1-(Trifluoromethyl)-2-piperazinobenzene. It belongs to the product categories of Piperidines, Piperidones, Piperazines; Piperazines. Its EINECS registry number is 264-514-9. This chemical's molecular formula is C11H13F3N2 and molecular weight is 230.23. What's more, its IUPAC name is 1-[2-(Trifluoromethyl)phenyl]piperazine.
Physical properties about Piperazine, 1-[2-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.29; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.57; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 43.72; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 54.78 cm3; (15)Molar Volume: 191.2 cm3; (16)Polarizability: 21.71×10-24 cm3; (17)Surface Tension: 30.9 dyne/cm; (18)Density: 1.203 g/cm3; (19)Flash Point: 133.5 °C; (20)Enthalpy of Vaporization: 53.69 kJ/mol; (21)Boiling Point: 297.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00138 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1ccccc1N2CCNCC2
(2) InChI: InChI=1/C11H13F3N2/c12-11(13,14)9-3-1-2-4-10(9)16-7-5-15-6-8-16/h1-4,15H,5-8H2
(3) InChIKey: VZUBMIDXJRGARE-UHFFFAOYAL