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| CAS No.: | 70931-28-1 |
|---|---|
| Name: | 1-(4-Fluorobenzyl)piperazine |
| Article Data: | 23 |
| Molecular Structure: | |
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|
|
| Formula: | C11H15FN2 |
| Molecular Weight: | 194.252 |
| Synonyms: | 1-(p-Fluorobenzyl)piperazine;4-(4-Fluorobenzyl)piperazine;N-(4-Fluorobenzyl)piperazine; |
| Density: | 1.103 g/cm3 |
| Melting Point: | 64 °C |
| Boiling Point: | 277.6 °C at 760 mmHg |
| Flash Point: | 121.7 °C |
| Appearance: | clear yellow liquid after melting |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 15.27000 |
| LogP: | 1.49760 |
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Specification
The Piperazine,1-[(4-fluorophenyl)methyl]-, with CAS registry number 70931-28-1, belongs to the following product categories: (1)API intermediates; (2)Building Blocks; (3)Heterocyclic Building Blocks; (4)Piperazines. It has the systematic name of 1-(4-fluorobenzyl)piperazine. This chemical is a kind of clear yellow liquid after melting. And the chemical formula of this chemical is C11H15FN2.
Physical properties of Piperazine,1-[(4-fluorophenyl)methyl]-: (1)ACD/LogP: 1.41; (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): 2.72; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 6.48 Å2; (11)Index of Refraction: 1.531; (12)Molar Refractivity: 54.52 cm3; (13)Molar Volume: 176 cm3; (14)Polarizability: 21.61×10-24cm3; (15)Surface Tension: 37.7 dyne/cm; (16)Density: 1.103 g/cm3; (17)Flash Point: 121.7 °C; (18)Enthalpy of Vaporization: 51.62 kJ/mol; (19)Boiling Point: 277.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00449 mmHg at 25°C.
Preparation: this chemical can be prepared by piperazine and 1-chloromethyl-4-fluoro-benzene. This reaction will need reagent toluene.The reaction time is 2 hour(s) with reaction temperature of 85 ℃. The yield is about 44%.
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When you are using this chemical, please be cautious about it as the following:
The Piperazine,1-[(4-fluorophenyl)methyl]- irritates to eyes, respiratory system and skin. And this chemical is harmful if swallowed. When use it, 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: Fc1ccc(cc1)CN2CCNCC2
(2)InChI: InChI=1/C11H15FN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2
(3)InChIKey: OOSZCNKVJAVHJI-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C11H15FN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2
(5)Std. InChIKey: OOSZCNKVJAVHJI-UHFFFAOYSA-N