2,4,5-Trifluorobenzaldehyde Chemical Properties

Boiling point:

168 °C (lit.)

Density 

1.408 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.482(lit.)

Flash point:

137 °F

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

Liquid

Specific Gravity

1.408

color 

Clear colorless to light yellow

Water Solubility 

Not miscible or difficult to mix in water.

Sensitive 

Air Sensitive

BRN 

8479631

InChI

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

InChIKey

CYIFJRXFYSUBFW-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

165047-24-5(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

RIDADR 

UN 1993 3/PG 1

WGK Germany 

3

Hazard Note 

Irritant

HazardClass 

3

PackingGroup 

III

HS Code 

29130000

MSDS

• Language:English Provider:2,4,5-Trifluorobenzaldehyde
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

2,4,5-Trifluorobenzaldehyde Usage And Synthesis

Chemical Properties

Clear colorless to light yellow liquid

Uses

It is a reactant in the enantioselective synthesis of (R)-selegiline, an anti-Parkinson's drug, (S)-benzphetamine, an anti-obesity agent, and (S)-sitagliptin, an anti-diabetic drug.

Uses

2,4,5-Trifluorobenzaldehyde may be used in the synthesis of:

• bis(2,4,5-trifluorophenyl)methanone
• 8-phenyl-7-tosyl-1-(2,4,5-trifluorophenyl)octahydro-1H-pyrano[3,4-c] pyridine
• (E)-4-methoxy-N′-(2,4,5-trifluorobenzylidene)-benzohydrazide monohydrate

2,4,5-Trifluorobenzaldehyde(165047-24-5)Related Product Information

• hexafluorobenzene
• Transfluthrin
• 4-Fluorobenzaldehyde
• Florfenicol
• 1,3-Difluorobenzene
• Methyl 3-Oxo-4-(2,4,5-trifluorophenyl)butanoate
• Sitagliptin
• Benzenebutanoicacid,b-[[(1,1-diMethylethoxy)carbonyl]aMino]-2,4,5-trifluoro-,Methylester,(bR)-
• (R)-methyl 3-acetamido-4-(2,4,5-trifluorophenyl)butanoate
• 2,4,5-TRIFLUOROBENZYL CHLORIDE
• Sitagliptin Impurity 34
• 2-CHLOROMETHYL-5-TRIFLUOROMETHYL-[1,3,4]OXADIAZOLE
• ethyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate
• Methyl 3-aMino-4-(2,4,5-trifluorophenyl)butanoate
• Sitagliptin impurity 5
• Sitagliptin Impurity 77
• Sitagliptin Impurity 46
• 2,2,2-TRIFLUORO-N'-(TRIFLUOROACETYL)ACETOHYDRAZIDE