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| CAS No.: | 91345-62-9 |
|---|---|
| Name: | 1-(4-Bromobenzyl)piperazine |
| Article Data: | 9 |
| Molecular Structure: | |
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|
|
| Formula: | C11H15BrN2 |
| Molecular Weight: | 255.157 |
| Synonyms: | 1-(4-Bromobenzyl)piperazine;Piperazine,1-(p-bromobenzyl)- (7CI);1-(p-Bromobenzyl)piperazine; |
| Density: | 1.356 g/cm3 |
| Melting Point: | 56-62 °C(lit.) |
| Boiling Point: | 329.4 °C at 760 mmHg |
| Flash Point: | 153 °C |
| Appearance: | UN 3259 |
| Hazard Symbols: |
 C, Xn
|
| Risk Codes: | 22-34-36/37/38 |
| Safety: | 26-36/37/39-45-36 |
| PSA: | 15.27000 |
| LogP: | 2.12100 |
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- Total:23 Page 1 of 1 1
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Specification
The 1-(4-Bromobenzyl)piperazine, with the CAS registry number 91345-62-9, is also known as Piperazine, 1-[(4-bromophenyl)methyl]-. It belongs to the product categories of Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Piperazines; Piperazines Heterocyclic Building Blocks. This chemical's molecular formula is C11H15BrN2 and molecular weight is 255.1542. Its IUPAC name is called 1-[(4-bromophenyl)methyl]piperazine.
Physical properties of 1-(4-Bromobenzyl)piperazine: (1)ACD/LogP: 2.13; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Index of Refraction: 1.575; (6)Molar Refractivity: 62.21 cm3; (7)Molar Volume: 188 cm3; (8)Surface Tension: 42.5 dyne/cm; (9)Density: 1.356 g/cm3; (10)Flash Point: 153 °C; (11)Enthalpy of Vaporization: 57.19 kJ/mol; (12)Boiling Point: 329.4 °C at 760 mmHg; (13)Vapour Pressure: 0.000178 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. It 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, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCN1)CC2=CC=C(C=C2)Br
(2)InChI: InChI=1S/C11H15BrN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2
(3)InChIKey: MAHWBNAOEVAPJF-UHFFFAOYSA-N