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1-Methyl-4-(4-nitrophenyl)piperazine

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Name

1-Methyl-4-(4-nitrophenyl)piperazine

EINECS N/A
CAS No. 16155-03-6 Density 1.198 g/cm3
PSA 52.30000 LogP 1.87270
Solubility N/A Melting Point 109-111 °C
Formula C11H15N3O2 Boiling Point 369.5 °C at 760 mmHg
Molecular Weight 221.259 Flash Point 177.3 °C
Transport Information N/A Appearance Gray power
Safety 26-36/37/39 Risk Codes  Xi:;
Molecular Structure Molecular Structure of 16155-03-6 (1-Methyl-4-(4-nitrophenyl)piperazine) Hazard Symbols IrritantXi
Synonyms

Piperazine,1-methyl-4-(p-nitrophenyl)- (7CI,8CI);1-Methyl-4-(4-nitrophenyl)piperazine;1-Methyl-4-(p-nitrophenyl)piperazine;4-(4-Methyl-1-piperazinyl)-1-nitrobenzene;4-(4-Methylpiperazino)nitrobenzene;4-Methyl-1-(4-nitrophenyl)piperazine;

Article Data 88

1-Methyl-4-(4-nitrophenyl)piperazine Specification

The Piperazine,1-methyl-4-(4-nitrophenyl)- is an organic compound with the formula C11H15N3O2. The IUPAC name of this chemical is Piperazine,1-methyl-4-(4-nitrophenyl)-. With the CAS registry number 16155-03-6, it is also named as 1-Methyl-4-(4-nitrophenyl)piperazine. Besides, its molecular weight is 221.26.

Physical properties about Piperazine,1-methyl-4-(4-nitrophenyl)- are: (1)ACD/LogP: 2.25; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 52.3 Å2; (5)Index of Refraction: 1.578; (6)Molar Refractivity: 61.27 cm3; (7)Molar Volume: 184.5 cm3; (8)Polarizability: 24.29×10-24 cm3; (9)Surface Tension: 47.3 dyne/cm; (10)Density: 1.198 g/cm3; (11)Flash Point: 177.3 °C; (12)Enthalpy of Vaporization: 61.63 kJ/mol; (13)Boiling Point: 369.5 °C at 760 mmHg; (14)Vapour Pressure: 1.18E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-Chloro-4-nitro-benzene. This reaction will need solvent Tetrahydrofuran. The reaction time is 20 hours with reaction temperature of 50 °C. The yield is about 96%.

Uses of Piperazine,1-methyl-4-(4-nitrophenyl)-: it can be used to produce 4-(4-Methyl-piperazin-1-yl)-aniline at temperature of 60 °C. It will need reagent H2, catalyst Ra-Ni, and solvent ethanol with reaction time of 5 hours. The yield is about 94%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H15N3O2/c1-12-6-8-13(9-7-12)10-2-4-11(5-3-10)14(15)16/h2-5H,6-9H2,1H3
(2)InChIKey: GZNDUKANJZIZOT-UHFFFAOYAH
(3)Std. InChI: InChI=1S/C11H15N3O2/c1-12-6-8-13(9-7-12)10-2-4-11(5-3-10)14(15)16/h2-5H,6-9H2,1H3
(4)Std. InChIKey: GZNDUKANJZIZOT-UHFFFAOYSA-N

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