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1-(4-Bromophenyl)piperazine hydrochloride

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Name

1-(4-Bromophenyl)piperazine hydrochloride

EINECS N/A
CAS No. 68104-62-1 Density N/A
PSA 15.27000 LogP 3.05450
Solubility Soluble in water Melting Point > 280 °C (dec.)
Formula C10H14BrClN2 Boiling Point 353.3 °C at 760 mmHg
Molecular Weight 381.05 Flash Point 167.5 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 68104-62-1 (1-(4-Bromophenyl)piperazine hydrochloride) Hazard Symbols IrritantXi
Synonyms

Piperazine,1-(4-bromophenyl)-, monohydrochloride (9CI);1-(4-Bromophenyl)piperazine monohydrochloride;1-(4-Bromophenyl)piperazinehydrochloride;

 

1-(4-Bromophenyl)piperazine hydrochloride Specification

The 1-(4-Bromophenyl)piperazine hydrochloride, with the CAS registry number 68104-62-1, is also known as Piperazine, 1-(4-bromophenyl)-, hydrochloride (1:1). It belongs to the product categories of Heterocycles; Pyrazines. This chemical's molecular formula is C10H14BrClN2 and molecular weight is 277.59. Its IUPAC name is called 1-(4-bromophenyl)piperazine hydrochloride.

Physical properties of 1-(4-Bromophenyl)piperazine hydrochloride: (1)ACD/LogP: 1.88; (2)ACD/LogD (pH 5.5): -0.87; (3)ACD/LogD (pH 7.4): 0.75; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.17; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 18.5; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Flash Point: 167.5 °C; (12)Enthalpy of Vaporization: 59.82 kJ/mol; (13)Boiling Point: 353.3 °C at 760 mmHg; (14)Vapour Pressure: 3.62E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

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

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