3,5-Bis(trifluoromethyl)benzaldehyde Chemical Properties

Boiling point:

37 °C1.3 mm Hg(lit.)

Density 

1.469 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.422(lit.)

Flash point:

158 °F

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

form 

Liquid

Specific Gravity

1.469

color 

Clear colorless to yellow

Water Solubility 

Insoluble in water. Soluble in many organic solvents.

Sensitive 

Air Sensitive

BRN 

1884058

InChI

InChI=1S/C9H4F6O/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-4H

InChIKey

LDWLIXZSDPXYDR-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

401-95-6(CAS DataBase Reference)

NIST Chemistry Reference

3,5-Bis(trifluoromethyl)benzaldehyde(401-95-6)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

36/37/38-22

Safety Statements 

26-36-37/39

WGK Germany 

3

F 

10-21

HazardClass 

IRRITANT

HS Code 

29124990

Storage Class

10 - Combustible liquids

Hazard Classifications

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

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

3,5-Bis(trifluoromethyl)benzaldehyde Usage And Synthesis

Chemical Properties

clear colorless to yellow liquid

Uses

3,5-Bis(trifluoromethyl)benzaldehyde was used in the synthesis of a series of meso-3,5-bis(trifluoromethyl)phenyl-substituted expanded porphyrins.

Synthesis

The oxidation reaction was carried out in a long-necked, single-necked, round-bottomed flask (50 mL) fitted with a magnet. 5.0 mmol of 3,5-bis(trifluoromethyl)benzyl alcohol and 0.05 mmol of TEMPO were added to the round-bottomed flask, followed by 8 mL of dichloromethane as the reaction solvent, then 0.50 mmol of hydrochloric acid (HCl), and finally 0.5 mmol of nitric acid (HNO3), which was hermetically sealed with the top of the flask in direct communication with an oxygen-filled balloon. The flask was closed and the top of the flask was connected directly to an oxygen-filled balloon. When the reaction is complete, a sample is taken and analyzed by gas chromatography, the reaction liquid is transferred to a dispensing funnel and the flask is carefully washed with methylene chloride to combine the organic solutions. The organic phase was washed with saturated Na2S2O3 aqueous solution and NaHCO3 aqueous solution in turn to remove TEMPO and inorganic salts, the organic layer was dried with anhydrous sodium sulfate, and then rotary evaporation to remove the organic solvent to obtain pure benzaldehyde, yield 95%, GC analysis content of more than 99%.

3,5-Bis(trifluoromethyl)benzaldehyde(401-95-6)Related Product Information

• 3-(Trifluoromethyl)benzaldehyde
• 2-(Trifluoromethyl)benzoic acid
• 2-(Trifluoromethyl)benzaldehyde
• Trifluoromethanesulfonic acid
• 2-Aminobenzotrifluoride
• 2-Methylbenzotrifluoride
• p-Tolualdehyde
• Benzaldehyde
• 3,5-BIS(TRIFLUOROMETHYL)BENZHYDRAZIDE
• ETHYL 3-[3,5-DI(TRIFLUOROMETHYL)PHENYL]-3-OXOPROPANOATE
• 3,5-Bis(trifluoromethyl)benzoic acid
• 3,5-Di(trifluoromethyl)benzamide
• 3,5-Bis(trifluoromethyl)benzoyl chloride
• 3',5'-BIS(TRIFLUOROMETHYL)PROPIOPHENONE
• METHYL 3,5-BIS(TRIFLUOROMETHYL)BENZOATE
• 3,3',5,5'-TETRAKIS(TRIFLUOROMETHYL)BENZOPHENONE
• 3',5'-Bis(trifluoromethyl)acetophenone
• 2-[3,5-BIS(TRIFLUOROMETHYL)BENZOYL]BENZOIC ACID