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| CAS No.: | 30459-17-7 |
|---|---|
| Name: | 1-(4-Trifluoromethylphenyl)piperazine |
| Molecular Structure: | |
|
|
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| Formula: | C11H13F3N2 |
| Molecular Weight: | 230.233 |
| Synonyms: | 1-[p-(Trifluoromethyl)phenyl]piperazine;N-(4-Trifluoromethylphenyl)piperazine;N-(a,a,a-Trifluoro-p-tolyl)piperazine; |
| EINECS: | 250-210-3 |
| Density: | 1.20 g/cm3 |
| Melting Point: | 88-92 °C |
| Boiling Point: | 309.1 °C at 760 mmHg |
| Flash Point: | 140.7 °C |
| Appearance: | colorless to light yellow crystals |
| Hazard Symbols: |
 Xi, C
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 15.27000 |
| LogP: | 2.50880 |
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Specification
The Piperazine,1-[4-(trifluoromethyl)phenyl]-, with the CAS registry number 30459-17-7, is also known as 1-(alpha,alpha,alpha-Trifluoro-p-tolyl)piperazine. It belongs to the product categories of Piperidines, Piperidones, Piperazines; Pharmacetical; Piperazines. Its EINECS number is 250-210-3. This chemical's molecular formula is C11H13F3N2 and molecular weight is 230.103083. Its IUPAC name is called 1-[4-(trifluoromethyl)phenyl]piperazine. This chemical is colorless to light yellow crystals.
Physical properties of Piperazine,1-[4-(trifluoromethyl)phenyl]-: (1)ACD/LogP: 2.36; (2)ACD/LogD (pH 5.5): -0.29; (3)ACD/LogD (pH 7.4): 1.38; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3.79; (6)ACD/KOC (pH 5.5): 1.02; (7)ACD/KOC (pH 7.4): 47.42; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.484; (12)Molar Refractivity: 54.78 cm3; (13)Molar Volume: 191.2 cm3; (14)Surface Tension: 30.9 dyne/cm; (15)Density: 1.203 g/cm3; (16)Flash Point: 140.7 °C; (17)Enthalpy of Vaporization: 54.98 kJ/mol; (18)Boiling Point: 309.1 °C at 760 mmHg; (19)Vapour Pressure: 0.000654 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-trifluoromethyl-aniline and 2,2'-azanediyl-bis-ethanol. The yield is about 35%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes and may destroy living tissue on contact. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCN1)C2=CC=C(C=C2)C(F)(F)F
(2)InChI: InChI=1S/C11H13F3N2/c12-11(13,14)9-1-3-10(4-2-9)16-7-5-15-6-8-16/h1-4,15H,5-8H2
(3)InChIKey: IBQMAPSJLHRQPE-UHFFFAOYSA-N