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1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine

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Name

1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine

EINECS 254-529-9
CAS No. 39577-43-0 Density 1.186 g/cm3
PSA 6.48000 LogP 3.89580
Solubility 140.1mg/L at 25℃ Melting Point 199 °C
Formula C13H18Cl2N2 Boiling Point 395.8 °C at 760 mmHg
Molecular Weight 273.205 Flash Point 193.2 °C
Transport Information N/A Appearance white to yellowish crystalline powder
Safety 24/25 Risk Codes  Xn:Harmful;
Molecular Structure Molecular Structure of 39577-43-0 (1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine) Hazard Symbols R20/21/22:;
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;

Article Data 16

1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine 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

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