2,4,5-Trifluorobenzaldehyde

Basic Information

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CAS Number

165047-24-5

Molecular Formula

C7H3F3O

Molecular Weight

160.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

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

168 °C

Water Solubility

Not miscible or difficult to mix in water.

Refractive Index

n20/D 1.482(lit.)

SMILES

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

InChI

InChI=1S/C7H3F3O/c8-5-2-7(10)6(9)1-4(5)3-11/h1-3H

InChIKey

CYIFJRXFYSUBFW-UHFFFAOYSA-N

LogP

1.9164

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

151

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 3 Class 3

Sensitiveness

Air Sensitive

Synonyms & References

English

2,4,5-Trifluorobenzaldehyde, 97%
Benzaldehyde, 2,4,5-trifluoro- (9CI)
AM61792
CS-W009003
165047-24-5
2,4,5-trifluorobenzoaldehyde
DTXSID20333948
AC-3860
AS-11134
T2319
A21306
EN300-112011
J-507055
Z1203162167
2,4,5-Trifluorobenzaldehyde
2,4,5-trifluorbenzaldehyde
SCHEMBL150019
FT-0609802
AKOS005063906
Benzaldehyde, 2,4,5-trifluoro-
FT-0609803
MFCD00061196
NS00120889
Sitagliptin Impurity 17
Benzaldehyde,2,4,5-trifluoro
2,4,5-trifluorobenzadehyde
2,4,5-Trilfuorobenzaldehyde
Benzaldehyde,2,4,5-trifluoro-
2,4,5-Trifluorobenzaldehyde97%
2,4,5-Trifluorobenzaldehyde 97%
2,4,5-Trifluorobenzaldehyde, 97% 1GR

MDL Number

MFCD00061196

Customs Code

2913000090

FAQ

What are the physical and chemical properties of 2,4,5-Trifluorobenzaldehyde (CAS: 165047-24-5)?

2,4,5-Trifluorobenzaldehyde (CAS: 165047-24-5) is a colorless to light yellow liquid with a molecular weight of approximately 170.09 g/mol. It is slightly soluble in water but soluble in common organic solvents. Chemically, it is moderately reactive, particularly towards nucleophilic and electrophilic reagents. It is often used in organic synthesis and has a melting point of -28°C and a boiling point of 150-152°C.

How is 2,4,5-Trifluorobenzaldehyde (CAS: 165047-24-5) typically synthesized?

2,4,5-Trifluorobenzaldehyde (CAS: 165047-24-5) is typically synthesized via the reduction of 2,4,5-trifluorobenzoyl chloride with a suitable reducing agent like hydrogen over a palladium catalyst. Common methods include hydrogenation with Pd/C in the presence of methanol or ethanol. Alternatively, it can be prepared by reacting 2,4,5-trifluorobenzoyl chloride with sodium borohydride.

What industries use 2,4,5-Trifluorobenzaldehyde (CAS: 165047-24-5)?

2,4,5-Trifluorobenzaldehyde (CAS: 165047-24-5) is used primarily in the pharmaceutical industry for the synthesis of various drugs and intermediates. It is also utilized in the polymer industry for the production of certain polymers and in the electronic industry for sensors and semiconductor fabrication. Its unique chemical properties make it a valuable reagent in organic synthesis.

What precautions should be taken when handling 2,4,5-Trifluorobenzaldehyde (CAS: 165047-24-5)?

When handling 2,4,5-Trifluorobenzaldehyde (CAS: 165047-24-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation and skin contact. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local waste disposal regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.