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| CAS No.: | 64671-29-0 |
|---|---|
| Name: | 4-(2-Fluorobenzoyl)piperidine hydrochloride |
| Molecular Structure: | |
 |
|
| Formula: | C12H15ClFNO |
| Molecular Weight: | 243.71 |
| Synonyms: | Methanone, (2-fluorophenyl)-4-piperidinyl-, hydrochloride;4-(2-Fluorobenzoyl)piperidine HCl; |
| Melting Point: | 185-187 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7)) |
| Boiling Point: | 344.9 °C at 760 mmHg |
| Flash Point: | 162.4 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 29.10000 |
| LogP: | 3.13880 |
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Specification
The 4-(2-Fluorobenzoyl)piperidine hydrochloride, with the CAS registry number 64671-29-0, is also known as Methanone, (2-fluorophenyl)-4-piperidinyl-, hydrochloride and 4-(2-Fluorobenzoyl)piperidine HCl. This chemical's molecular formula is C12H15ClFNO and molecular weight is 243.71. What's more, both its IUPAC name and systematic name are the same which is called (2-Fluorophenyl)(piperidin-4-yl)methanone hydrochloride.
Physical properties about this chemical are: (1) ACD/LogP: 1.44; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 1; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 2; (8) #H bond donors: 1; (9) #Freely Rotating Bonds: 2; (10) Polar Surface Area: 29.1 Å2; (11) Flash Point: 162.4 °C; (12) Enthalpy of Vaporization: 60.05 kJ/mol; (13) Boiling Point: 344.9 °C at 760 mmHg; (14) Vapour Pressure: 4.53E-05 mmHg at 25°C.
When you are dealing with the 4-(2-Fluorobenzoyl)piperidine hydrochloride, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection.And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: C1CNCCC1C(=O)C2=CC=CC=C2F.Cl
(2) InChI: InChI=1S/C12H14FNO.ClH/c13-11-4-2-1-3-10(11)12(15)9-5-7-14-8-6-9;/h1-4,
9,14H,5-8H2;1H
(3) InChIKey: NOCFQMBSDJUUBB-UHFFFAOYSA-N