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| CAS No.: | 92-54-6 |
|---|---|
| Name: | 1-Phenylpiperazine |
| Article Data: | 69 |
| Molecular Structure: | |
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| Formula: | C10H14N2 |
| Molecular Weight: | 162.235 |
| Synonyms: | N-Phenylpiperazine;Phenylpiperazine;1-Phenylpiperazine; |
| EINECS: | 202-165-6 |
| Density: | 1.028 g/cm3 |
| Melting Point: | 18.8 °C |
| Boiling Point: | 287.2 °C at 760 mmHg |
| Flash Point: | 138.3 °C |
| Solubility: | insoluble in water |
| Appearance: | clear colorless to yellow liquid |
| Hazard Symbols: |
 T,  C
|
| Risk Codes: | 22-24-34-36/37/38-23/24/25 |
| Safety: | 26-36/37/39-45-28A |
| Transport Information: | UN 2922 8/PG 2 |
| PSA: | 15.27000 |
| LogP: | 1.49000 |
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Consensus Reports
Specification
The IUPAC name of this chemical is 1-Phenylpiperazine. With the CAS registry number 92-54-6 and EINECS 202-165-6, it is also named as 1-Fenylpiperazin. The product's categories are Piperaizine; API Intermediates; Piperazines. It is clear colorless to yellow liquid which should be sealed in the container. 1-Phenylpiperazine is a simple chemical compound featuring a phenyl group bound to a piperazine ring.
Physical properties about 1-Phenylpiperazine are: (1)ACD/LogP: 1.077; (2)ACD/LogD (pH 5.5): -1.75; (3)ACD/LogD (pH 7.4): -0.19; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 4.96; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.544 ; (12)Molar Refractivity: 49.806 cm3; (13)Molar Volume: 157.734 cm3; (14)Polarizability: 19.744 10-24cm3; (15)Surface Tension: 36.9819984436035 dyne/cm; (16)Density: 1.029 g/cm3; (17)Flash Point: 138.252 °C; (18)Enthalpy of Vaporization: 52.639 kJ/mol; (19)Boiling Point: 287.23 °C at 760 mmHg; (20)Vapour Pressure: 0.00300000002607703 mmHg at 25°C
Preparation and Uses of 1-Phenylpiperazine: It can be obtained by 2-(2-amino ethyl amide)-2-phenyl ethanol of dehydration and cyclization in autoclave at 220°C. It is used as starting material in the production of 2-phenyl ofloxacin compounds. In addition, it can react with 1,2-epoxy-cyclohexane to get (+-)-trans-2-(4-Phenyl-piperazino)-cyclohexanol. This reaction needs solvent ethanol by heating. The yield is 80%.
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When you are using 1-Phenylpiperazine, please be cautious about it as the following:
It is not only toxic by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. And it can cause burns.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
1. SMILES:c1cc(ccc1)N2CCNCC2;
2. InChI:InChI=1/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2;
3. InChIKey:YZTJYBJCZXZGCT-UHFFFAOYAS;
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 1300mg/kg (1300mg/kg) | Journal of the American Chemical Society. Vol. 76, Pg. 5091, 1954. | |
| rabbit | LD50 | skin | 140uL/kg (.14mL/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| rat | LD50 | oral | 210mg/kg (210mg/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. |