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| CAS No.: | 65369-76-8 |
|---|---|
| Name: | 1-(3-Chlorophenyl)piperazine hydrochloride |
| Article Data: | 12 |
| Molecular Structure: | |
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|
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| Formula: | C10H13ClN2.xClH |
| Molecular Weight: | 233.14 |
| Synonyms: | Piperazine,1-(3-chlorophenyl)-, hydrochloride (9CI);Piperazine, 1-(m-chlorophenyl)-,hydrochloride (7CI);1-(3-Chlorophenyl)Piperazinium Chloride;1-(3-Chlorophenyl)-piperazine HCl; |
| EINECS: | 265-718-0 |
| Density: | 1.193g/cm |
| Melting Point: | 210-214°C (dec.)(lit.) |
| Boiling Point: | 336.4oC at 760 mmHg |
| Flash Point: | 157.2oC |
| Appearance: | OFF-WHITE TO BROWN POWDER |
| Hazard Symbols: | R25:Toxic if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | 36/37/38-22-39/23/24/25-23/24/25-11 |
| Safety: | 26-36-24/25-45-36/37-16-7 |
| PSA: | 15.27000 |
| LogP: | 2.94540 |
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Chemistry
Molecular Structure of 1-(3-Chlorophenyl)piperazine hydrochloride (1:1) (CAS NO.65369-76-8):
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IUPAC Name: 1-(3-chlorophenyl)piperazine hydrochloride
Empirical Formula: C10H14Cl2N2
Molecular Weight: 233.1376
ACD/LogP: 2.07
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -0.66
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1.77
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 25.61
H bond acceptors: 2
H bond donors: 1
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 6.48Å2
Flash Point: 157.2 °C
Enthalpy of Vaporization: 57.95 kJ/mol
Boiling Point: 336.4 °C at 760 mmHg
Vapour Pressure: 0.000112 mmHg at 25°C
EINECS: 235-976-9
Melting point: 210-214 °C (dec.)(lit.)
Product Categories: Piperazines; API intermediates; Serotonin receptor
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
Specification
1-(3-Chlorophenyl)piperazine hydrochloride (1:1) , with CAS number of 65369-76-8, can be called 1-(3-Chlorophenyl)piperazin-1-ium chloride ; Piperazine, 1- (3-chlorophenyl)-, monohydrochloride ; piperazine, 1-(3-chlorophenyl)-, hydrochloride (1:1) .