Piperazine, 1-(2-chloro-4-nitrophenyl)-4-methyl- supplier

Name
BUTTPARK 83\09-70
EINECS 200-589-5
CAS No. 16154-62-4
Article Data9
CAS DataBase
Density 1.301 g/cm³
Solubility
Melting Point 106 °C
Formula C₁₁H₁₄ClN₃O₂
Boiling Point 384.87 °C at 760 mmHg
Molecular Weight 255.704
Flash Point 186.563 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure $Molecular Structure of 16154-62-4 (BUTTPARK 83\09-70)$
Hazard Symbols
Synonyms 2-Chlor-1-(N-methyl-piperazino)-4-nitrobenzol;2-chloro-1-(N-methylpiperazino)-4-nitrobenzene;1-(2-chloro-4-nitro-phenyl)-4-methyl-piperazine;
PSA 52.30000
LogP 2.52610

Piperazine, 1-(2-chloro-4-nitrophenyl)-4-methyl- Specification

The Piperazine, 1-(2-chloro-4-nitrophenyl)-4-methyl-, with CAS registry number of 16154-62-4. Its systematic name is 1-(2-chloro-4-nitro-phenyl)-4-methyl-piperazine. Its molecular formula is C₁₁H₁₄ClN₃O₂, and molecular weight is 255.7008.

Physical properties about this chemical are: (1) ACD/LogP: 1.80; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.338; (4) ACD/LogD (pH 7.4): 1.668; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 10.126; (7) ACD/KOC (pH 5.5): 7.828; (8) ACD/KOC (pH 7.4): 167.195; (9) # H bond acceptors: 5; (10) # H bond donors: 0; (11) # Freely Rotating Bonds: 2; (12) Polar Surface Area: 52.3 Å²; (13) Index of Refraction: 1.588; (14) Molar Refractivity: 66.173 cm³; (15) Molar Volume: 196.548 cm³; (16) Polarizability: 26.233×10^-24 cm³; (17) Surface Tension: 49.49 dyne/cm; (18) Density: 1.301 g/cm³; (19)Flash Point: 186.563 °C; (20) Enthalpy of Vaporization: 63.36 kJ/mol; (21)Boiling Point: 384.87 °C at 760 mmHg; (22) Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Piperazine, 1-(2-chloro-4-nitrophenyl)-4-methyl-: it is prepared by reaction of 1-methyl-piperazine with 2-chloro-1-fluoro-4-nitro-benzene. The reaction needs reagent pyridine at the temperature of 120 - 125 °C. The yield is about 59%.

Piperazine, 1-(2-chloro-4-nitrophenyl)-4-methyl- is prepared by reaction of 1-methyl-piperazine with 2-chloro-1-fluoro-4-nitro-benzene.

You can still convert the following datas into molecular structure:
(1) SMILES: CN1CCN(CC1)c2ccc(cc2Cl)N(=O)=O
(2) InChI: InChI=1/C11H14ClN3O2/c1-13-4-6-14(7-5-13)11-3-2-9(15(16)17)8-10(11)12/h2-3,8H,4-7H2,1H3
(3) InChIKey: UFFIYCVVTWWGGH-UHFFFAOYAZ

Product Name

BUTTPARK 83\09-70

Piperazine, 1-(2-chloro-4-nitrophenyl)-4-methyl- Specification

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