1-(4-Bromophenyl)piperazine supplier

Name
1-(4-Bromophenyl)piperazine
EINECS
CAS No. 66698-28-0
Article Data11
CAS DataBase
Density 1.386 g/cm³
Solubility
Melting Point 93-94 °C
Formula C₁₀H₁₃BrN₂
Boiling Point 353.3 °C at 760 mmHg
Molecular Weight 241.131
Flash Point 167.5 °C
Transport Information
Appearance
Safety
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xi
Synonyms N-(4-Bromophenyl)piperazine;1-(4-Bromophenyl)piperazine;
PSA 15.27000
LogP 2.25250

1-(4-Bromophenyl)piperazine Specification

This product is an organic compound with the formula C₁₀H₁₃BrN₂. The IUPAC name of this chemical is 1-(4-bromophenyl)piperazine. With the CAS registry number 66698-28-0, it is also named as Piperazine, 1-(4-bromophenyl)-. The product's categories are Heterocycles; Pharmacetical; Piperaizine. In addition, the molecular weight is 241.13.

The other characteristics of 1-(4-Bromophenyl)piperazine can be summarized as: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.87; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.17; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 18.5; (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^-24 cm³; (17)Surface Tension: 40.9 dyne/cm; (18)Density: 1.386 g/cm³; (19)Flash Point: 167.5 °C; (20)Enthalpy of Vaporization: 59.82 kJ/mol; (21)Boiling Point: 353.3 °C at 760 mmHg; (22)Vapour Pressure: 3.62E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Brc1ccc(cc1)N2CCNCC2
2. InChI:InChI=1/C10H13BrN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
3. InChIKey:PJHPFAFEJNBIDC-UHFFFAOYAV
4. Std. InChI:InChI=1S/C10H13BrN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
5. Std. InChIKey:PJHPFAFEJNBIDC-UHFFFAOYSA-N

Product Name

1-(4-Bromophenyl)piperazine

1-(4-Bromophenyl)piperazine Specification

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