4-(Trifluoromethyl)benzoyl chloride

Basic Information

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CAS Number

329-15-7

Molecular Formula

C8H4ClF3O

Molecular Weight

208.57 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

Basic Physical Properties

Melting Point

-3°C

Boiling Point

188-190 °C<br />78-79 °C/16 mmHg

Refractive Index

n20/D 1.476(lit.)

SMILES

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C1=CC(=CC=C1C(=O)Cl)C(F)(F)F

InChI

InChI=1S/C8H4ClF3O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H

InChIKey

OXZYBOLWRXENKT-UHFFFAOYSA-N

LogP

3.0844000000000005

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

194

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

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

Hazard Class

Class 8 Class 8

Sensitiveness

Lachrymatory

Synonyms & References

English

AKOS000121329
4-(Trifluoromethtyl)benzoyl chloride
4-trifluoromethyl-phenylcarbonyl chloride
.alpha.,.alpha.-Trifluoro-p-toluoyl chloride
p-Toluoyl chloride, alpha,alpha,alpha-trifluoro-
p-trifluoromethyl-benzoyl chloride
SCHEMBL68177
T1301
.alpha.,.alpha.,.alpha.-Trifluoro-p-toluoyl chloride
doi:10.14272/OXZYBOLWRXENKT-UHFFFAOYSA-N.1
4-(Trifluoromethyl)benzoyl chloride, 97%
p-(Trifluoromethyl)benzoyl chloride
2H-049
F2190-0083
Benzoyl chloride, 4-(trifluoromethyl)-
EINECS 206-342-9
4-(trifluoromethy)benzoyl chloride
CK1094
4-Trifluoromethylbenzoic acid chloride
NSC 88292
FT-0616919
4-Trifluoromethyl-benzoyl chloride
alpha,alpha,alpha-Trifluoro-p-toluoyl chloride
4-trifluoromethylbenzoyl chloride
p-trifluoromethyl benzoylchloride
EN300-21277
DTXSID6059817
4-trifluoromethyl-benzoic acid chloride
4-trifluoromethylbenzoylchloride
p-Toluoyl chloride,.alpha.,.alpha.-trifluoro-
W-106804

MDL Number

MFCD00000694

Customs Code

29163900

FAQ

What are the physical and chemical properties of 4-(Trifluoromethyl)benzoyl chloride (CAS: 329-15-7)?

4-(Trifluoromethyl)benzoyl chloride (CAS: 329-15-7) is a colorless to pale yellow liquid with a molecular weight of 275.05 g/mol. It has a high boiling point (159-161°C) and low solubility in water (0.2 g/L). The compound is highly reactive, particularly towards nucleophiles, and is prone to hydrolysis under basic conditions. It crystallizes in the monoclinic system and is used in organic synthesis for its electrophilic aromatic character.

How is 4-(Trifluoromethyl)benzoyl chloride (CAS: 329-15-7) typically synthesized?

4-(Trifluoromethyl)benzoyl chloride (CAS: 329-15-7) can be synthesized by the reaction of 4-(trifluoromethyl)benzoic acid with thionyl chloride. The process involves heating the acid and thionyl chloride in a solvent like dichloromethane. This method provides good yields and control over the product. Catalysts such as aluminum chloride can be used to enhance reactivity and selectivity.

What industries use 4-(Trifluoromethyl)benzoyl chloride (CAS: 329-15-7)?

4-(Trifluoromethyl)benzoyl chloride (CAS: 329-15-7) is primarily used in the pharmaceutical and polymer industries for the synthesis of complex organic compounds. It serves as a key intermediate in the production of drugs, functional polymers, and materials with specific electronic properties. The compound is also utilized in the semiconductor industry for creating specialized coatings and in the production of sensors.

What precautions should be taken when handling 4-(Trifluoromethyl)benzoyl chloride (CAS: 329-15-7)?

When handling 4-(Trifluoromethyl)benzoyl chloride (CAS: 329-15-7), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Use a fume hood to minimize exposure. Spills should be cleaned up carefully with absorbent materials and neutralized with a base. For detailed safety information, refer to the Safety Data Sheet (SDS). Storage should be in a cool, dry place, away from incompatible materials, and tightly sealed to prevent hydrolysis and evaporation.