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| CAS No.: | 1011-16-1 |
|---|---|
| Name: | N-(2-FLUOROPHENYL)PIPERAZINE HYDROCHLORIDE |
| Article Data: | 3 |
| Molecular Structure: | |
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|
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| Formula: | C10H13FN2.HCl |
| Molecular Weight: | 216.686 |
| Synonyms: | Piperazine,1-(2-fluorophenyl)-, monohydrochloride (9CI);Piperazine, 1-(o-fluorophenyl)-,hydrochloride (7CI,8CI);1-(2-Fluorophenyl)piperazine hydrochloride; |
| EINECS: | 623-113-2 |
| Melting Point: | 187-189 °C(lit.) |
| Boiling Point: | 283.8 °C at 760 mmHg |
| Flash Point: | 125.4 °C |
| Appearance: | white to off-white crystalline powder |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 15.27000 |
| LogP: | 2.43110 |
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Specification
The systematic name of this chemical is 1-(2-fluorophenyl)piperazine hydrochloride. With the CAS registry number 1011-16-1, it is also named as Piperazine, 1-(2-fluorophenyl)-, hydrochloride (1:1) Its . The product's categories are Building Blocks; Heterocyclic Building Blocks; Piperazines. It is white to off-white crystalline powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The properties of the chemical are: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.17; (4)ACD/LogD (pH 7.4): 0.5; (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): 16.07; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.48 Å2; (13)Flash Point: 125.4 °C; (14)Enthalpy of Vaporization: 52.27 kJ/mol; (15)Boiling Point: 283.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0031 mmHg at 25°C.
Uses of N-(2-Fluorophenyl)piperazine hydrochloride: It can be used to produce 2-{2-[4-(2-fluoro-phenyl)-piperazin-1-yl]-ethyl}-1,2,3,4,6,7,8,9-octahydro-benzo[b][1,6]naphthyridine. This reaction needs reagent Et3N and solvent ethanol by heating. The reaction time is 2 hours. The yield is 55%.
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When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to skin, eyes and respiratory system. If you want to contact this product, you must wear suitable protective clothing. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
1. SMILES: Cl.Fc1ccccc1N2CCNCC2
2. InChI: InChI=1/C10H13FN2.ClH/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H
3. InChIKey: JVQOFQHGEFLRRQ-UHFFFAOYAF