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| CAS No.: | 768-31-0 |
|---|---|
| Name: | DL-3-(TRIFLUOROMETHYL)PIPERIDINE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C6H10F3N |
| Molecular Weight: | 153.147 |
| Synonyms: | 3-Trifluoromethylpiperidine; |
| EINECS: | 205-525-8 |
| Density: | 1.13 g/cm3 |
| Boiling Point: | 118.399 °C at 760 mmHg |
| Flash Point: | 25.407 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 10-36/37/38 |
| Safety: | 26 |
| PSA: | 12.03000 |
| LogP: | 1.87710 |
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- Total:30 Page 1 of 1 1
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Specification
The Piperidine,3-(trifluoromethyl)- is an organic compound with the formula C6H10F3N. The IUPAC name of this chemical is 3-(trifluoromethyl)piperidine. With the CAS registry number 768-31-0, it is also named as 3-Trifluoromethyl-piperidine. The product's categories are Building Blocks; Heterocyclic Building Blocks; Piperidines. Besides, it should be stored in a closed cool and dry place.
Physical properties about Piperidine,3-(trifluoromethyl)- are: (1)ACD/LogP: 1.40; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 3.569; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)Polar Surface Area: 12.03 Å2; (9)Index of Refraction: 1.377; (10)Molar Refractivity: 31.195 cm3; (11)Molar Volume: 135.556 cm3; (12)Polarizability: 12.366×10-24cm3; (13)Surface Tension: 21.126 dyne/cm; (14)Density: 1.13 g/cm3; (15)Flash Point: 25.407 °C; (16)Enthalpy of Vaporization: 35.662 kJ/mol; (17)Boiling Point: 118.399 °C at 760 mmHg; (18)Vapour Pressure: 16.698 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is flammable. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin.
You can still convert the following datas into molecular structure:
(1)SMILES: C1CC(CNC1)C(F)(F)F
(2)InChI: InChI=1/C6H10F3N/c7-6(8,9)5-2-1-3-10-4-5/h5,10H,1-4H2
(3)InChIKey: JOHFJTBDUSVGQB-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H10F3N/c7-6(8,9)5-2-1-3-10-4-5/h5,10H,1-4H2
(5)Std. InChIKey: JOHFJTBDUSVGQB-UHFFFAOYSA-N