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39577-43-0

Basic Information
CAS No.: 39577-43-0
Name: 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine
Article Data: 16
Molecular Structure:
Molecular Structure of 39577-43-0 (1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine)
Formula: C13H18Cl2N2
Molecular Weight: 273.205
Synonyms: Piperazine,1-(m-chlorophenyl)-4-(3-chloropropyl)- (6CI);1-[4-(3-Chlorophenyl)piperazin-1-yl]-3-chloropropane;3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl chloride;NSC 520934;
EINECS: 254-529-9
Density: 1.186 g/cm3
Melting Point: 199 °C
Boiling Point: 395.8 °C at 760 mmHg
Flash Point: 193.2 °C
Solubility: 140.1mg/L at 25℃
Appearance: white to yellowish crystalline powder
Hazard Symbols: R20/21/22:;
Risk Codes:  Xn:Harmful;
">  Xn:Harmful;
Safety: 24/25
PSA: 6.48000
LogP: 3.89580
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Specification

The Piperazine, 1-(3-chlorophenyl)-4-(3-chloropropyl)-, with the CAS registry number 39577-43-0, is also known as 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine. This chemical's molecular formula is C13H18Cl2N2 and molecular weight is 273.20142. Its IUPAC name is called 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine.

Physical properties of Piperazine, 1-(3-chlorophenyl)-4-(3-chloropropyl)-: (1)ACD/LogP: 3.74; (2)ACD/LogD (pH 5.5): 2.9; (3)ACD/LogD (pH 7.4): 3.71; (4)ACD/BCF (pH 5.5): 58.66; (5)ACD/BCF (pH 7.4): 383.12; (6)ACD/KOC (pH 5.5): 368.7; (7)ACD/KOC (pH 7.4): 2408.14; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.553; (11)Molar Refractivity: 73.72 cm3; (12)Molar Volume: 230.1 cm3; (13)Surface Tension: 41.2 dyne/cm; (14)Density: 1.186 g/cm3; (15)Flash Point: 193.2 °C; (16)Enthalpy of Vaporization: 64.6 kJ/mol; (17)Boiling Point: 395.8 °C at 760 mmHg; (18)Vapour Pressure: 1.79E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. You must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCN1CCCCl)C2=CC(=CC=C2)Cl
(2)InChI: InChI=1S/C13H18Cl2N2/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13/h1,3-4,11H,2,5-10H2
(3)InChIKey: NDQKGEFMUGSRNS-UHFFFAOYSA-N