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| CAS No.: | 1011-13-8 |
|---|---|
| Name: | 1-(2-Bromophenyl)piperazine |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C10H13BrN2 |
| Molecular Weight: | 241.131 |
| Synonyms: | Piperazine,1-(o-bromophenyl)- (6CI,7CI,8CI); |
| EINECS: | 673-619-2 |
| Density: | 1.386 g/cm3 |
| Boiling Point: | 336.967 °C at 760 mmHg |
| Flash Point: | 157.592 °C |
| Appearance: | Gray power |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 15.27000 |
| LogP: | 2.25250 |
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Specification
This chemical is called 1-(2-Bromophenyl)piperazine, and it can also be named as Piperazine, 1-(2-bromophenyl)-. With the molecular formula of C10H13BrN2, its molecular weight is 241.13. The CAS registry number of this chemical is 1011-13-8, and its product categories are Piperaizine; Piperazines. In addition, this chemical is irritant, please be careful when you use it.
Other characteristics of the 1-(2-Bromophenyl)piperazine can be summarised as followings: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.42; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.93; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 38.91; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 57.49 cm3; (15)Molar Volume: 173.9 cm3; (16)Polarizability: 22.79×10-24cm3; (17)Surface Tension: 40.9 dyne/cm; (18)Density: 1.386 g/cm3; (19)Flash Point: 157.6 °C; (20)Enthalpy of Vaporization: 58.02 kJ/mol; (21)Boiling Point: 337 °C at 760 mmHg; (22)Vapour Pressure: 0.000108 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1ccccc1N2CCNCC2
2.InChI: InChI=1/C10H13BrN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
3.InChIKey: JVTRURBMYILQDA-UHFFFAOYAJ