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| CAS No.: | 39539-66-7 |
|---|---|
| Name: | 4-Methylpiperazine-1-carbonyl chloride |
| Article Data: | 18 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H11ClN2O |
| Molecular Weight: | 162.619 |
| Synonyms: | 1-(Chlorocarbonyl)-4-methylpiperazine;1-(Chloroformyl)-4-methylpiperazine;1-Methyl-4-chlorocarbonylpiperazine;4-Methyl-1-piperazinecarbonylchloride;N-Chlorocarbonyl-N'-methylpiperazine; |
| Density: | 1.207 g/cm3 |
| Melting Point: | 225-228 °C(lit.) |
| Boiling Point: | 247.488 °C at 760 mmHg |
| Flash Point: | 103.478 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 23.55000 |
| LogP: | 0.46840 |
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Chemistry
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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
Safety Profile
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
Specification
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 .