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76835-20-6

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Basic Information
CAS No.: 76835-20-6
Name: 1-(5-Chloro-2-methylphenyl)piperazine
Article Data: 2
Molecular Structure:
Molecular Structure of 76835-20-6 (1-(5-Chloro-2-methylphenyl)piperazine)
Formula: C11H15 Cl N2
Molecular Weight: 210.706
Synonyms: 1-(5-Chloro-2-methylphenyl)piperazine;1-(5-Chloro-o-tolyl)piperazine; 4-(2-Methyl-5-chlorophenyl)piperazine; N-(5-Chloro-2-methylphenyl)piperazine
EINECS: 278-560-2
Density: 1.1197 (rough estimate)
Boiling Point: 349.4°C at 760 mmHg
Flash Point: 165.1°C
Appearance: clear colourless to light yellow liquid
Hazard Symbols:
Risk Codes: R36/37/38   
Safety:
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 37/39-26
PSA: 15.27000
LogP: 2.45180
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Chemistry

Molecular Structure of 1-(5-Chloro-2-methylphenyl)piperazine (CAS No.76835-20-6):

Molecular Formula: C11H15ClN2
Molecular Weight: 210.7032
CAS No: 76835-20-6
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 6.48 Å2
Index of Refraction: 1.553
Molar Refractivity: 59.52 cm3
Molar Volume: 185.9 cm3
Surface Tension: 38.8 dyne/cm
Density: 1.133 g/cm3
Flash Point: 165.1 °C
Enthalpy of Vaporization: 59.39 kJ/mol
Boiling Point: 349.4 °C at 760 mmHg
Vapour Pressure: 4.7E-05 mmHg at 25°C
Appearence: Clear colourless to light yellow liquid
IUPAC Name: 1-(5-Chloro-2-methylphenyl)piperazine 
InChI: InChI=1/C11H15ClN2/c1-9-2-3-10(12)8-11(9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKey: FVDJRHNUZNLRJC-UHFFFAOYAB
Std. InChI: InChI=1S/C11H15ClN2/c1-9-2-3-10(12)8-11(9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
Std. InChIKey: FVDJRHNUZNLRJC-UHFFFAOYSA-N
Product Categories: API intermediates

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Specification

  1-(5-Chloro-2-methylphenyl)piperazine (CAS No.76835-20-6), its synonyms are N-(5-Chloro-2-methylphenyl)piperazine ; Piperazine, 1-(5-chloro-2-methylphenyl)- .