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Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:69-23-8

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character: dark brown viscous oil

2. Density (g/mL, 25/4?): Uncertain

3. Relative vapor density (g /mL, air=1): Uncertain

4. Melting point (ºC): 225~227 (decomposition).

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition Combustion temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Uncertain

17. The upper limit of explosion (%, V/V): Uncertain

18. Lower explosion limit (%, V/V): Uncertain

19. Solubility: Easily soluble in water, slightly soluble in methanol, slightly soluble in ethanol and chloroform, almost insoluble in benzene and Ether. Hygroscopic

Toxicological data

Acute toxicity: Rat intraperitoneal LD50: 100 mg/kg; Rat subcutaneous injection LD50: 640 mg/kg; Mouse oral LD50: 220 mg/kg; Mouse intraperitoneal LD50: 89 mg/kg; Mouse intravenous LD50: 51 mg/kg; Breeding: Rat oral TDLo: 62 mg/kgSEX/DURATION: female 9 day(s) pre-mating female 1-22 day(s) after conception; Rat oral TDLo: 18 mg/kgSEX /DURATION: female 9 day(s) pre-mating;

Ecological data

None

Molecular structure data

1. Molar refractive index: 114.30

2. Molar volume (cm³/mol): 343.8

3. Isotonic specific volume (90.2K ): 885.9

4. Surface tension (dyne/cm): 44.0

5. Polarizability (10-24cm3): 45.31

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 8

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 55.2

7. Number of heavy atoms: 30

8. Surface charge: 0

9. Complexity: 544

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be stored in an airtight container away from light.

Synthesis method

It is produced by alkylation of hydroxyethylpiperazine and bromochloropropane and then condensation with 2-trifluoromethylphenothiazine to form a salt. It can also be obtained by condensation, elimination, cyclization, etc. of m-trifluoromethylaniline.

Purpose

Antipsychotics. It is clinically used for catatonic and paranoid schizophrenia, and is more effective than chlorpromazine for chronic schizophrenia. Preparations include tablets and injections

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