CAS No.76835-17-1,N-(3,4-DICHLOROPHENYL)PIPERAZINE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	76835-17-1
Name:	N-(3,4-DICHLOROPHENYL)PIPERAZINE HYDROCHLORIDE

Formula:	C₁₀H₁₄Cl₄N₂
Molecular Weight:	267.586
Synonyms:	Piperazine,1-(3,4-dichlorophenyl)-, dihydrochloride (9CI);1-(3,4-dichlorophenyl)piperazine dihydrochloride;1-(3,4-Dichlorphenyl)piperazindihydrochlorid;piperazine, 1-(3,4-dichlorophenyl)-, hydrochloride (1:2);
EINECS:	200-589-5
Melting Point:	217-220°C
Boiling Point:	424.8 °C at 760 mmHg
Flash Point:	210.7 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	15.27000
LogP:	3.59880

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Specification

The Piperazine,1-(3,4-dichlorophenyl)-, hydrochloride (1:2), with the CAS registry number 76835-17-1, has the systematic name of 1-(3,4-dichlorophenyl)piperazine dihydrochloride. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₁₄Cl₄N₂.

The characteristics of Piperazine,1-(3,4-dichlorophenyl)-, hydrochloride (1:2) are as followings: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: Å²; (7)Flash Point: 210.7 °C; (8)Enthalpy of Vaporization: 69.24 kJ/mol; (9)Boiling Point: 424.8 °C at 760 mmHg; (10)Vapour Pressure: 1.28E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(c(cc1N2CCNCC2)Cl)Cl.Cl.Cl
(2)InChI: InChI=1/C10H12Cl2N2.2ClH/c11-9-2-1-8(7-10(9)12)14-5-3-13-4-6-14;;/h1-2,7,13H,3-6H2;2*1H
(3)InChIKey: VADUZJRSQFZLPH-UHFFFAOYAF