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| CAS No.: | 13078-12-1 |
|---|---|
| Name: | 1-(4-Chlorophenyl)piperazine hydrochloride |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C10H14Cl2N2 |
| Molecular Weight: | 233.141 |
| Synonyms: | 1-(4-Chlorophenyl)piperazine monohydrochloride;N-(4-Chlorophenyl)piperazine hydrochloride;Piperazine,1-(4-chlorophenyl)-, monohydrochloride (9CI);Piperazine, 1-(p-chlorophenyl)-,hydrochloride (7CI,8CI); |
| EINECS: | 254-165-0 |
| Melting Point: | 277 °C (dec.) |
| Boiling Point: | 336.3 °C at 760 mmHg |
| Flash Point: | 157.2 °C |
| Appearance: | Gray power |
| Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 15.27000 |
| LogP: | 2.94540 |
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Specification
The 1-(4-Chlorophenyl)piperazine hydrochloride, with the CAS registry number 13078-12-1, is also known as Piperazine, 1-(4-chlorophenyl)-, hydrochloride (1:1). It belongs to the product categories of Nitrogen Cyclic Compounds; Piperidines, Piperidones, Piperazines. Its EINECS registry number is 254-165-0. This chemical's molecular formula is C10H14Cl2N2 and molecular weight is 233.1376. Its systematic name is called 1-(4-chlorophenyl)piperazine hydrochloride. What's more, the product should be sealed and stored in cool and dry place.
Physical properties of 1-(4-Chlorophenyl)piperazine hydrochloride: (1)ACD/LogP: 1.84; (2)ACD/LogD (pH 5.5): -0.91; (3)ACD/LogD (pH 7.4): 0.71; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.09; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 17.58; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Flash Point: 157.2 °C; (12)Enthalpy of Vaporization: 57.94 kJ/mol; (13)Boiling Point: 336.3 °C at 760 mmHg; (14)Vapour Pressure: 0.000113 mmHg at 25°C.
Uses of 1-(4-Chlorophenyl)piperazine hydrochloride: it can be used to produce 2-{2-[4-(4-chlorophenyl)-1-piperazinyl]ethyl}-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine with 2-(2-chloroethyl)-1,2,3,4,6,7,8,9octahydrobenzo[b][1,6]naphthyridine•2HCl by heating. This reaction will need reagent Et3N and solvent ethanol. The yield is about 65%.
![1-(4-Chlorophenyl)piperazine hydrochloride can be used to produce 2-{2-[4-(4-chlorophenyl)-1-piperazinyl]ethyl}-1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine with 2-(2-chloroethyl)-1,2,3,4,6,7,8,9octahydrobenzo[b][1,6]naphthyridine?2HCl by heating](/UserFilesUpload/Uses of 1-(4-Chlorophenyl)piperazine hydrochloride.png)
When you are using this chemical, please be cautious about it as the following:
This chemical 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)SMILES: Cl.Clc1ccc(cc1)N2CCNCC2
(2)InChI: InChI=1/C10H13ClN2.ClH/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H
(3)InChIKey: ZHGRQBSZTVJDHU-UHFFFAOYAB