1-(3-Bromophenyl)piperazine supplier

Name
1-(3-Bromophenyl)piperazine
EINECS
CAS No. 31197-30-5
Article Data6
CAS DataBase
Density 1.386 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₃BrN₂
Boiling Point 353.2 °C at 760 mmHg
Molecular Weight 241.131
Flash Point 167.4 °C
Transport Information
Appearance Colorless to pale yellow liquid
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms Piperazine,1-(m-bromophenyl)- (8CI);1-(3-Bromophenyl)piperazine;1-(m-Bromophenyl)piperazine;4-(3-Bromophenyl)piperazine;
PSA 15.27000
LogP 2.25250

1-(3-Bromophenyl)piperazine Specification

The 1-(3-Bromophenyl)piperazine, with the CAS registry number 31197-30-5, is also known as (3'-Bromophenyl)piperazine. It belongs to the product categories of Pharmacetical; Halides; Phenyls & Phenyl-Het; Piperaizine; Phenyls & Phenyl-Het; Piperazines. This chemical's molecular formula is C₁₀H₁₃BrN₂ and molecular weight is 241.12762. Its IUPAC name is called 1-(3-bromophenyl)piperazine. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 1-(3-Bromophenyl)piperazine: (1)ACD/LogP: 2.24; (2)ACD/LogD (pH 5.5): -0.55; (3)ACD/LogD (pH 7.4): 1.03; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.84; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 24.41; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.575; (12)Molar Refractivity: 57.49 cm³; (13)Molar Volume: 173.9 cm³; (14)Surface Tension: 40.9 dyne/cm; (15)Density: 1.386 g/cm³; (16)Flash Point: 167.4 °C; (17)Enthalpy of Vaporization: 59.81 kJ/mol; (18)Boiling Point: 353.2 °C at 760 mmHg; (19)Vapour Pressure: 3.65E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCN1)C2=CC(=CC=C2)Br
(2)InChI: InChI=1S/C10H13BrN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
(3)InChIKey: DOYNABJKDZARLF-UHFFFAOYSA-N

Product Name

1-(3-Bromophenyl)piperazine

1-(3-Bromophenyl)piperazine Specification

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