2,5-Difluorobenzaldehyde Chemical Properties

Melting point:

67-69 °C

Boiling point:

67-69 °C/17 mmHg (lit.)

Density 

1.308 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.498(lit.)

Flash point:

138 °F

storage temp. 

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

form 

Liquid

Specific Gravity

1.308

color 

Clear colorless to yellow

Sensitive 

Air Sensitive

BRN 

2573664

InChI

InChI=1S/C7H4F2O/c8-6-1-2-7(9)5(3-6)4-10/h1-4H

InChIKey

VVVOJODFBWBNBI-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

2646-90-4(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36-37/39-36/37

RIDADR 

UN 1989 3/PG 3

WGK Germany 

3

Hazard Note 

Irritant

HazardClass 

3.2

PackingGroup 

III

HS Code 

29130000

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

2,5-Difluorobenzaldehyde Usage And Synthesis

Chemical Properties

clear light yellow liquid

Uses

2,5-Difluorobenzaldehyde was used in the synthesis of fluorinated analog by Henry condensation with nitroethane.

General Description

The emission and absorption spectra of 2,5-difluorobenzaldehyde were studied.

Synthesis

Example 3 Synthesis of 2,5-difluorobenzaldehyde Procedure: to a stirred solution of 194.5 g (1.70 mol) of 1,4-difluorobenzene dissolved in 2 ml of anhydrous tetrahydrofuran was added dropwise 1.70 mol (2.2 M hexane solution) of n-butyllithium at -60°C, at a rate maintaining the temperature below -55°C. The reaction mixture was stirred below -50°C for 45 minutes, followed by continued stirring in the range of -50°C to -45°C for 1.5 hours. The solution was cooled to -30°C and 230 g of N-methylformanilide dissolved in 300 ml of tetrahydrofuran was added dropwise over 30 minutes. The mixture was stirred at -50°C for 1 hour, followed by a slow warming to -30°C over 15 minutes. The reaction mixture was poured into ice water and neutralized to pH 6-7 with 10% sulfuric acid solution, followed by three extractions with hexane. The combined organic phases were sequentially washed once each with 1N sulfuric acid solution and saturated sodium chloride solution and concentrated to give an oil. Purification by reduced pressure distillation (64°-65°C, 20 mm Hg) gave 187.5 g (77.5%) of 2,5-difluorobenzaldehyde.

References

[1] Patent: US4654336, 1987, A

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