CAS No.827614-47-1,1-(2,5-Dichlorophenyl)piperazine dihydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	827614-47-1
Name:	1-(2,5-Dichlorophenyl)piperazine dihydrochloride

Formula:	C₁₀H₁₂Cl₂N₂^.2(HCl)
Molecular Weight:	267.586
Synonyms:	Piperazine,1-(2,5-dichlorophenyl)-, dihydrochloride (9CI);
Melting Point:	243-248°C
Boiling Point:	360.5 °C at 760 mmHg
Flash Point:	171.8 °C
Hazard Symbols:	Xi
PSA:	15.27000
LogP:	4.40080

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Specification

The 1-(2,5-Dichlorophenyl)piperazine dihydrochloride, with cas registry number 827614-47-1, has the systematic name of 1-(2,5-dichlorophenyl)piperazine dihydrochloride. And it is also called Piperazine, 1-(2,5-dichlorophenyl)-, hydrochloride (1:2).

Physical properties about this chemical are: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.4; (4)ACD/LogD (pH 7.4): 2.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 14.23; (7)ACD/KOC (pH 5.5): 2.69; (8)ACD/KOC (pH 7.4): 132.85; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.48 Å²; (13)Flash Point: 171.8 °C; (14)Enthalpy of Vaporization: 60.62 kJ/mol; (15)Boiling Point: 360.5 °C at 760 mmHg; (16)Vapour Pressure: 2.21E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.Clc1cc(c(Cl)cc1)N2CCNCC2
(2)InChI: InChI=1/C10H12Cl2N2.2ClH/c11-8-1-2-9(12)10(7-8)14-5-3-13-4-6-14;;/h1-2,7,13H,3-6H2;2*1H
(3)InChIKey: CYCGXYKRUBKWHT-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C10H12Cl2N2.2ClH/c11-8-1-2-9(12)10(7-8)14-5-3-13-4-6-14;;/h1-2,7,13H,3-6H2;2*1H
(5)Std. InChIKey: CYCGXYKRUBKWHT-UHFFFAOYSA-N