Molecular Formula: C₆H₁₁ClN₂O
Molecular Weight: 162.62 g/mol
Canonical SMILES: O=C(Cl)N1CCN(C)CC1
InChI: InChI=1/C6H11ClN2O/c1-8-2-4-9(5-3-8)6(7)10/h2-5H2,1H3
Mol File: 39539-66-7.mol
Product Categories: Acidhalide; Piperazine derivates; API intermediates; Building Blocks; Heterocyclic Building Blocks; Piperazines
H bond acceptors: 3
H bond donors: 0
#Freely Rotating Bonds: 0
Polar Surface Area: 23.55
Index of Refraction: 1.501
Molar Refractivity: 39.7 cm³
Molar Volume: 134.6 cm³
Polarizability: 15.74×10^-24cm³
Surface Tension: 39.3 dyne/cm
Density: 1.207 g/cm³
Flash Point: 103.5 °C
Enthalpy of Vaporization: 48.46 kJ/mol
Boiling Point: 247.5 °C at 760 mmHg
Melting Point: 225-228 °C(lit.)
Vapour Pressure of 4-Methylpiperazine-1-carbonyl chloride (CAS NO.39539-66-7): 0.0256 mmHg at 25 °C

Hazard Codes: C
Risk Statements: 34
R34: Causes burns.
Safety Statements: 26-36/37/39-45 
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. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany of 4-Methylpiperazine-1-carbonyl chloride (CAS NO.39539-66-7): 3

  4-Methylpiperazine-1-carbonyl chloride (CAS NO.39539-66-7), its Synonyms are Methyl piperazine carbamoyl chloride ; 4-Methyl-1-piperazinecarbonyl chloride ; 4-Methyl-1-chlorocarbonyl piperazine ; 4-Methylpiperazinecarbonyl chloride ; 1-Piperazinecarbonyl chloride, 4-methyl- (6CI,9CI) ; 4-Methylpierazine-1-carbonylchloride .