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:52-86-8

MDL number:MFCD00051423

EINECS number:200-155-6

RTECS number:EU1575000

BRN number:None

PubChem number:24277917

Physical property data

1. Characteristics: White or off-white crystalline powder. Odorless and tasteless.

2. Density ( g/mL,25/4℃）： Undetermined SPAN>

3. Relative steam Density (g/mL,AIR=1): Undetermined

4. Melting point ( oC):148-149.4

5. Boiling point ( oC,Normal pressure): Undetermined

6. Boiling point ( oC, 13.33kpa):

7. Refractive index: Undetermined

8. Flashpoint (oC): Undetermined

9. Specific optical activity Degree (o,）： Undetermined

10. Spontaneous ignition point or ignition temperature (oC): Undetermined

11. Vapor Pressure (kPa,25oC): Undetermined

12. Saturation vapor pressure ( kPa,60oC): Undetermined

13. Burning heat (KJ/mol): Undetermined

14. Critical temperature (oC): Undetermined

15. Critical Pressure (KPa): Undetermined

16. Oil and water ( Octanol/Log value of water) partition coefficient: Undetermined

17. Explosion limit (%,V/V): Undetermined

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

19. Solubility ：Easily soluble in chloroform, methanol, acetone, benzene and dilute acid, solubility in water1.4mg/100ml.

Toxicological data

Moderately toxic, LD50 (rat, oral)165mg/kg.

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 101.01

2. Molar volume (m³/mol）：303.2

3. Isotonic specific volume(90.2K)： 797.8

4. Surface Tension(dyne/cm)：47.9

5. Polarizability(10-24cm³)：40.04

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: 4

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: 2

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 26

8. Surface charge: 0

9. Complexity: 451

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 yet

Storage method

Should be sealed and stored away from light.

Synthesis method

By4-p-chlorobenzene-4-hydroxy piper andγ–Chloro-p-fluorophenbutanone condensation And get. IntermediateγChlorofluorobenzene is composed of fluorobenzene,γ–Produced from butyrolactone and thionyl chloride.

Purpose

Antipsychotic drugs, formerly known as strong tranquilizers, are mainly used to control schizophrenia and other patients with hallucinations, delusions, Excitement, impulsiveness and other related diseases. Haloperidol is mainly used to combat mania and hallucinations in acute and chronic schizophrenia. It has a significant effect on controlling excitement and agitation, but it is ineffective in treating depression and apathy in schizophrenia.

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