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CAS No.: | 31197-30-5 |
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Name: | 1-(3-Bromophenyl)piperazine |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C10H13BrN2 |
Molecular Weight: | 241.131 |
Synonyms: | Piperazine,1-(m-bromophenyl)- (8CI);1-(3-Bromophenyl)piperazine;1-(m-Bromophenyl)piperazine;4-(3-Bromophenyl)piperazine; |
Density: | 1.386 g/cm3 |
Boiling Point: | 353.2 °C at 760 mmHg |
Flash Point: | 167.4 °C |
Appearance: | Colorless to pale yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 22 |
PSA: | 15.27000 |
LogP: | 2.25250 |
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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