2,4,5-Trifluorobenzoyl chloride

Basic Information

View in Editor

CAS Number

88419-56-1

Molecular Formula

C7H2ClF3O

Molecular Weight

194.54 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

85°C/17mmHg

Density

1.52 g/mL at 25 °C

Refractive Index

n20/D 1.498(lit.)

SMILES

View in Editor

C1=C(C(=CC(=C1F)F)F)C(=O)Cl

InChI

InChI=1S/C7H2ClF3O/c8-7(12)3-1-5(10)6(11)2-4(3)9/h1-2H

InChIKey

STBGCAUUOPNJBH-UHFFFAOYSA-N

LogP

2.4829000000000008

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

188

Safety Information

View Safety Information

Hazard Statement

H227 Combustible liquid
Flammable liquids

H290 May be corrosive to metals
Corrosive to Metals

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Lachrymatory

Synonyms & References

English

2,4,5-Trifluorobenzoyl chloride
2,3-DIHYDRO-2,2-DIMETHYL-7-HYDROXYBENZOFURAN
2,4,5-tifluorobenzoylchloride
2,4,5-trifluorobenzoic acid chloride
2,4,5-Trifluorobenzoyl
2,4,5-trifluoro-benzoyl chloride
2,4,5-trifluorobenzoylchloride
Benzoyl chloride, 2,4,5-trifluoro-
STBGCAUUOPNJBH-UHFFFAOYSA-N
2,4,5-tris(fluoranyl)benzoyl chloride
PubChem9716
2,4,5-trifluorobenzoyl-chloride
STBGCAUUOPNJBH-UHFFFAOYSA-
PC7285G
SBB006657
FCH931546
AS00055
VZ22362
CM12881
2,4,5-Trifluorobenzoyl chloride (ACI)
A842578
DTXCID00159527
AKOS000281059
88419-56-1
PS-10693
2,4,5-Trifluorobenzoyl chloride, 97%
SCHEMBL457385
DTXSID00237036
T1653
MFCD00061204
2,4,5-tri-fluorobenzoyl chloride

MDL Number

MFCD00061204

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 2,4,5-Trifluorobenzoyl chloride (CAS: 88419-56-1)?

2,4,5-Trifluorobenzoyl chloride (CAS: 88419-56-1) is a white crystalline solid with a molecular weight of 239.12 g/mol. It has low solubility in water but is soluble in organic solvents like dichloromethane and ethanol. This compound is highly reactive and prone to nucleophilic substitution reactions. It is a potent electrophile and is used in organic synthesis.

How is 2,4,5-Trifluorobenzoyl chloride (CAS: 88419-56-1) typically synthesized?

2,4,5-Trifluorobenzoyl chloride is typically synthesized by the chlorination of 2,4,5-trifluorobenzoic acid in the presence of thionyl chloride. This process involves the use of a catalytic amount of thionyl chloride to facilitate the introduction of the chlorine atom at the benzylic position. The reaction is carried out under anhydrous conditions to minimize side reactions.

What industries use 2,4,5-Trifluorobenzoyl chloride (CAS: 88419-56-1)?

2,4,5-Trifluorobenzoyl chloride (CAS: 88419-56-1) is primarily used in the pharmaceutical and polymer industries. It serves as a key building block for the synthesis of various fluorinated compounds, which are important in drug design and development. Additionally, it is used in the production of fluorinated polymers for electronic and optical applications.

What precautions should be taken when handling 2,4,5-Trifluorobenzoyl chloride (CAS: 88419-56-1)?

When handling 2,4,5-Trifluorobenzoyl chloride (CAS: 88419-56-1), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated fume hood to minimize inhalation risks. Spills should be handled with caution, and the area should be cleaned up using appropriate absorbent materials. Always refer to the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for detailed safety information.