Haloperidol Impurity 1

Basic Information

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CAS Number

3874-54-2

Molecular Formula

C10H10ClFO

Molecular Weight

200.64 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Oil

Melting Point

5-6 ºC

Boiling Point

130-132 ºC (1.33 mmHg)

Water Solubility

0.38 g/L (20 ºC)

Refractive Index

n20/D 1.5255(lit.)

SMILES

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C1=CC(=CC=C1C(=O)CCCCl)F

InChI

InChI=1S/C10H10ClFO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2

InChIKey

HXAOUYGZEOZTJO-UHFFFAOYSA-N

LogP

3.027400000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

164

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Sensitive to air

Synonyms & References

English

gamma-Chloro-p-fluorobutyrophene
4-chloro-4'-flourobutyrophenone
CS-W009108
4-Chloro-1-(4-fluorophenyl)-1-butanone #
4-(p-Fluorophenyl)-4-oxobutyl chloride
InChI=1/C10H10ClFO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2
4-chloro-4' -fluorobutyrophenone
4-Chloro-4 inverted exclamation mark -fluorobutyrophenone
gamma-Chloro-4-fluorobutyrophenone
NSC87082
3874-54-2
Q27278227
4-Fluorobenzoylpropyl chloride
UNII-FVL03C7JRR
omega-Chloro-4-fluorobutyrophenone
CHEMBL3561872
4-Chloro-p-fluorobutyrophenone
DTXCID4031518
gamma-Chloro-p-fluorobutyrophenone
NCGC00253619-01
EINECS 223-395-3
1-CHLORO-4-(4-FLUOROPHENYL)-4-OXOBUTANE
NS00019720
FVL03C7JRR
4-Chloro-4'-fluorobutyrophenone
.gamma.-Chloro-p-fluorobutyrophene
NSC 87082
4-chloro-1-(4-fluoro-phenyl)-butan-1-one
FT-0618100
1-chloro-3-(4-fluorobenzoyl)propane
HXAOUYGZEOZTJO-UHFFFAOYSA-

MDL Number

MFCD00001007

Customs Code

2914700090

FAQ

What is Haloperidol Impurity 1 (CAS: 3874-54-2)?

Haloperidol Impurity 1 is a byproduct found in haloperidol, a medication used to treat schizophrenia and other psychiatric disorders. It has the chemical formula C21H24ClN3O. This impurity is characterized by its low solubility in water and organic solvents and its ability to form crystalline structures.

What are the main uses of Haloperidol Impurity 1 (CAS: 3874-54-2)?

Haloperidol Impurity 1 is not used as a standalone compound in applications. It is primarily of interest in pharmaceutical quality control as a potential byproduct of haloperidol synthesis. It is used to monitor the purity and quality of haloperidol medications.

Is Haloperidol Impurity 1 (CAS: 3874-54-2) safe?

Haloperidol Impurity 1 is not considered a standalone pharmaceutical substance and thus does not have direct therapeutic uses. However, it can be harmful if ingested or inhaled due to its chemical composition. Proper handling should include wearing appropriate personal protective equipment (PPE) such as gloves and safety glasses. Safety data sheets (SDS) should be consulted for detailed information on handling and emergency procedures.

How should Haloperidol Impurity 1 (CAS: 3874-54-2) be stored?

Haloperidol Impurity 1 should be stored in a cool, dry place away from direct sunlight and heat. It should be kept in tightly sealed containers to prevent degradation. The storage temperature should be maintained between 15°C and 25°C. Humidity should be kept at a minimum to prevent moisture absorption, which could affect its stability. Avoid contact with oxidizing agents and incompatible materials.