Basic information
- Name:
4-(p-CHLOROPHENYL)PIPERAZINYL 3,4,5-TRIMETHYOXYPHENYL KETONE
- CAS No.:
17766-66-4
- Molecular Structure:
- Formula:
- C20H23ClN2O4
- Molecular Weight:
- 390.90
- Density:
- 1.245g/cm3
- Boiling Point:
- 579.5°Cat760mmHg
- Flash Point:
- 304.3°C
- Safety Description:
- A poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx and Cl−. Details
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Chemistry
The Molecular Structure of Ketone, 4-(p-chlorophenyl)piperazinyl 3,4,5-trimethoxyphenyl (CAS NO.17766-66-4):
Molecular Formula: C20H23ClN2O4
Molecular Weight: 390.860620 g/mol
IUPAC: [4-(4-chlorophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Index of Refraction: 1.581
Molar Refractivity: 104.59 cm3
Molar Volume: 313.7 cm3
Surface Tension: 46.4 dyne/cm
Density: 1.245 g/cm3
Flash Point: 304.3 °C
Enthalpy of Vaporization: 86.71 kJ/mol
Boiling Point: 579.5 °C at 760 mmHg
Vapour Pressure: 2E-13 mmHg at 25°C
InChI
InChI=1/C20H23ClN2O4/c1-25-17-12-14(13-18(26-2)19(17)27-3)20(24)23-10-8-22(9-11-23)16-6-4-15(21)5-7-16/h4-7,12-13H,8-11H2,1-3H3
Smiles
c1(cc(c(OC)c(c1)OC)OC)C(N1CCN(c2ccc(Cl)cc2)CC1)=O
Toxicity Data With Reference
| 1. | ipr-mus LD50:300 mg/kg | JMCMAR Journal of Medicinal Chemistry. 11 (1968),332. |
Safety Profile
A poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx and Cl−.
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
Specification
Ketone, 4-(p-chlorophenyl)piperazinyl 3,4,5-trimethoxyphenyl (CAS NO.17766-66-4) is also called as 1-(p-Chlorophenyl)-4-(3,4,5-trimethoxybenzoyl)piperazine ; 4-(p-Chlorophenyl)piperazinyl 3,4,5-trimethyoxyphenyl ketone ; 5-23-01-00179 (Beilstein Handbook Reference) ; BRN 1603839 ; Piperazine, 1-(p-chlorophenyl)-4-(3,4,5-trimethoxybenzoyl)- .