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Basic Information
CAS No.: 39512-50-0
Name: 1-(2-Chlorophenyl)piperazine
Article Data: 16
Molecular Structure:
Molecular Structure of 39512-50-0 (1-(2-Chlorophenyl)piperazine)
Formula: C10H13ClN2
Molecular Weight: 196.68
Synonyms: Piperazine,1-(o-chlorophenyl)- (6CI);1-(o-Chlorophenyl)piperazine;N-(2-Chlorophenyl)piperazine;N-(o-Chlorophenyl)piperazine;
EINECS: 254-480-3
Density: 1.159 g/cm3
Melting Point: 152-154 °C
Boiling Point: 317.4 °C at 760 mmHg
Flash Point: 145.7 °C
Appearance: white to yellow crystalline mass or oil
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 15.27000
LogP: 2.14340
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Chemistry

Product Name: 1-(2-Chlorophenyl)piperazine (CAS NO.39512-50-0)

Molecular Formula: C10H13ClN2
Molecular Weight: 196.68g/mol
Mol File: 39512-50-0.mol
EINECS: 254-480-3
Appearance: white to yellow crystalline mass or oil
Boiling point: 317.4 °C at 760 mmHg
Flash Point: 145.7 °C
Density: 1.159 g/cm3
Index of Refraction: 1.557  Molar Refractivity: 54.7 cm3 
Molar Volume:  69.6 cm3 
Surface Tension: 39.7 dyne/cm
Enthalpy of Vaporization: 55.88 kJ/mol
Vapour Pressure: 0.000387 mmHg at 25°C
XLogP3-AA: 2
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of 1-(2-Chlorophenyl)piperazine (CAS NO.39512-50-0):
  IUPAC Name: 1-(2-chlorophenyl)piperazine
  Canonical SMILES: C1CN(CCN1)C2=CC=CC=C2Cl
  InChI: InChI=1S/C10H13ClN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2 
  InChIKey: PWZDJIUQHUGFRJ-UHFFFAOYSA-N
Product Categories: Piperidines, Piperidones, Piperazines 

Safety Profile

Safety Information of 1-(2-Chlorophenyl)piperazine (CAS NO.39512-50-0):
Hazard Codes: XiIrritant
Risk Statements: 36/37/38  
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Hazard Note: Irritant