CAS No.66698-28-0,1-(4-Bromophenyl)piperazine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	66698-28-0
Name:	1-(4-Bromophenyl)piperazine
Article Data:	11

Formula:	C₁₀H₁₃BrN₂
Molecular Weight:	241.131
Synonyms:	N-(4-Bromophenyl)piperazine;1-(4-Bromophenyl)piperazine;
Density:	1.386 g/cm³
Melting Point:	93-94 °C
Boiling Point:	353.3 °C at 760 mmHg
Flash Point:	167.5 °C
Hazard Symbols:	Xi
Risk Codes:	20/21/22
PSA:	15.27000
LogP:	2.25250

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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