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| CAS No.: | 55513-17-2 |
|---|---|
| Name: | 1-(3,4-Dichlorobenzyl)piperazine |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C11H14Cl2N2 |
| Molecular Weight: | 245.152 |
| Synonyms: | AKOS B014420;BUTTPARK 36\08-58; |
| Density: | 1.252 g/cm3 |
| Melting Point: | 212-213 °C |
| Boiling Point: | 334.4 °C at 760 mmHg |
| Flash Point: | 156.1 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 37/38-41 |
| Safety: | 26-39 |
| PSA: | 15.27000 |
| LogP: | 2.66530 |
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- Total:17 Page 1 of 1 1
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Specification
The CAS register number of 1-(3,4-Dichlorobenzyl)piperazine is 55513-17-2. The molecular formula about this chemical is C11H14Cl2N2 and the molecular weight is 245.15. It belongs to the following product categories which include API intermediates; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Piperazines; PiperazinesHeterocyclic Building Blocks and so on.
Physical properties about 1-(3,4-Dichlorobenzyl)piperazine are: (1)ACD/LogP: 2.42; (2)ACD/LogD (pH 5.5): -0.52; (3)ACD/LogD (pH 7.4): 0.86; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.12; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 13.6; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 6.48 Å2; (12)Index of Refraction: 1.571; (13)Molar Refractivity: 64.31 cm3; (14)Molar Volume: 195.7 cm3; (15)Polarizability: 25.49x10-24cm3; (16)Surface Tension: 43.7 dyne/cm; (17)Density: 1.252 g/cm3; (18)Flash Point: 156.1 °C; (19)Enthalpy of Vaporization: 57.74 kJ/mol; (20)Boiling Point: 334.4 °C at 760 mmHg; (21)Vapour Pressure: 0.000128 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. There is risk of serious damage to the eyes. If you want to use this chemical, wear eye and face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. This chemical may be harmful to the environment, especially when discharged into water. If you want to store it, you should keep the container tightly sealed in dry, cool places. If you store and use this chemical according the rule, it will not be decomposed.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1Cl)CN2CCNCC2
(2)Std. InChI: InChI=1S/C11H14Cl2N2/c12-10-2-1-9(7-11(10)13)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2
(3)Std. InChIKey: PNDSYXGJCWKNFG-UHFFFAOYSA-N