CAS No.39593-08-3,1-(4-Methylphenyl)piperazine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	39593-08-3
Name:	1-(4-Methylphenyl)piperazine
Article Data:	28

Formula:	C₁₁H₁₆N₂
Molecular Weight:	176.261
Synonyms:	1-(4-Tolyl)piperazine;1-(p-Methylphenyl)piperazine;4-(4-Methylphenyl)piperazine;4-(4-Tolyl)piperazine;N-4-Tolylpiperazine;NSC150849;
EINECS:	254-534-6
Density:	1.013 g/cm³
Melting Point:	29-32 °C
Boiling Point:	321.2 °C at 760 mmHg
Flash Point:	153.8 °C
Appearance:	White to yellow low melting solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	15.27000
LogP:	1.79840

Total:34 Page 1 of 1 1

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Specification

The CAS register number of 1-(4-Methylphenyl)piperazine is 39593-08-3. It also can be called as Piperazine,1-(4-methylphenyl)- and the systematic name about this chemical is 1-(4-methylphenyl)piperazine. The molecular formula about this chemical is C₁₁H₁₆N₂ and the molecular weight is 176.26. It belongs to the following product categories which include Piperidine; Piperidines, Piperidones, Piperazines; API intermediates and so on.

Physical properties about 1-(4-Methylphenyl)piperazine are: (1)ACD/LogP: 1.57; (2)ACD/LogD (pH 5.5): -1.29; (3)ACD/LogD (pH 7.4): 0.22; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 7.64; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 6.48Å²; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 54.63 cm³; (14)Molar Volume: 174 cm³; (15)Polarizability: 21.65x10^-24cm³; (16)Surface Tension: 36.3 dyne/cm; (17)Enthalpy of Vaporization: 56.29 kJ/mol; (18)Boiling Point: 321.2 °C at 760 mmHg; (19)Vapour Pressure: 0.000303 mmHg at 25°C.

Preparation: this chemical can be prepared by piperazine and 1-chloro-4-methyl-benzene. This reaction is a kind of Amination. It will need reagent Pd(dba)₂, 1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene, NaO(t-Bu) and solvent dimethyl ether. The reaction time is 3 hour(s) with reaction temperature of 100 ℃. The yield is about 71%.

Uses of 1-(4-Methylphenyl)piperazine: it can be used to produce 1-phenoxy-4-(4-p-tolyl-piperazin-1-yl)-butan-2-ol with 4-Chlor-1-(phenoxy)-2-butanol at heating. This reaction will need reagent Na₂CO₃, KI and solvent butan-1-ol with reaction time of 18 hours. The yield is about 62%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1C)N2CCNCC2
(2)InChI: InChI=1/C11H16N2/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
(3)InChIKey: ONEYFZXGNFNRJH-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C11H16N2/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
(5)Std. InChIKey: ONEYFZXGNFNRJH-UHFFFAOYSA-N