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| CAS No.: | 21987-29-1 |
|---|---|
| Name: | 4,4-DIFLUOROPIPERIDINE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C5H9F2N |
| Molecular Weight: | 121.13 |
| Synonyms: | 4,4-DIFLUOROPIPERIDINE;Piperidine, 4,4-difluoro- |
| Density: | 1.089 g/cm3 |
| Boiling Point: | 114.305 °C at 760 mmHg |
| Flash Point: | 22.931 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 16-26-36/37/39 |
| PSA: | 12.03000 |
| LogP: | 1.33390 |
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Specification
The 4,4-Difluoropiperidine, with CAS registry number 21987-29-1, belongs to the following product categories: (1)Pharmacetical; (2)Pharmaceutical intermediate. It has the systematic name of 4,4-difluoropiperidine. Beisdes this, it is also called Piperidine, 4,4-difluoro-. And the chemical formula of this chemical is C5H9F2N.
Physical properties of 4,4-Difluoropiperidine: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.88; (4)ACD/LogD (pH 7.4): -0.18; (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): 10.53; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.401; (14)Molar Refractivity: 27.04 cm3; (15)Molar Volume: 111.2 cm3; (16)Polarizability: 10.72×10-24cm3; (17)Surface Tension: 22.9 dyne/cm; (18)Enthalpy of Vaporization: 35.28 kJ/mol; (19)Vapour Pressure: 20 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. When use it, keep it away from sources of ignition and wear suitable protective clothing, gloves and eye/face protection. If 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: FC1(F)CCNCC1
(2)InChI: InChI=1/C5H9F2N/c6-5(7)1-3-8-4-2-5/h8H,1-4H2
(3)InChIKey: MJOUJKDTBGXKIU-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C5H9F2N/c6-5(7)1-3-8-4-2-5/h8H,1-4H2
(5)Std. InChIKey: MJOUJKDTBGXKIU-UHFFFAOYSA-N