CAS No.41202-32-8,1-(2-Chlorophenyl)piperazine hydrochloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	41202-32-8
Name:	1-(2-Chlorophenyl)piperazine hydrochloride
Article Data:	6

Formula:	C₁₀H₁₃ClN₂^.HCl
Molecular Weight:	233.141
Synonyms:	Piperazine,1-(2-chlorophenyl)-, monohydrochloride (9CI);1-(2-Chlorophenyl)piperazinemonohydrochloride;N-(2-Chlorophenyl)piperazine monohydrochloride;1-4-(2-Chlorophenyl)piperazine monohydrochloride;
EINECS:	255-262-0
Melting Point:	160-163 °C
Boiling Point:	317.4 °C at 760 mmHg
Flash Point:	145.7 °C
Hazard Symbols:	R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	15.27000
LogP:	2.94540

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Specification

The IUPAC name of this chemical is 1-(2-chlorophenyl)piperazine hydrochloride. With the CAS registry number 41202-32-8 and EINECS 255-262-0, it is also named as piperazine, 1-(2-chlorophenyl)-, hydrochloride (1:1). The product's categories are Piperidines, Piperidones, Piperazines; Piperazine Derivative; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Piperazines. It is powder which should be sealed in the container and stored in the cool and dry place.

The other characteristics of 1-(2-Chlorophenyl)piperazine hydrochloride can be summarized as: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.62; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.03; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 29.46; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.48 Å²; (13)Enthalpy of Vaporization: 55.88 kJ/mol; (14)Vapour Pressure: 0.000387 mmHg at 25°C; (15)Rotatable Bond Count: 1; (16)Exact Mass: 232.053404; (17)MonoIsotopic Mass: 232.053404; (18)Topological Polar Surface Area: 15.3; (19)Heavy Atom Count: 14; (20)Complexity: 157.

Uses of 1-(2-Chlorophenyl)piperazine hydrochloride: It can react with methyl 3-[N'-(2-chloroethyl)ureido]thiophene-2-carboxylate to get 3-(3-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]-ethyl}-ureido)-thiophene-2-carboxylic acid methyl ester. This reaction needs reagents NaHCO₃, NaI and solvent tetrahydrofuran by heating. The reaction time is 2.5days. The yield is 59%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:Cl.Clc1ccccc1N2CCNCC2
2. InChI:InChI=1/C10H13ClN2.ClH/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H
3. InChIKey:GUTWDZXWTKMXPI-UHFFFAOYAE