2-(Trifluoromethyl)benzoyl chloride Chemical Properties

Melting point:

-22 °C

Boiling point:

84-85 °C16 mm Hg(lit.)

Density 

1.416 g/mL at 25 °C(lit.)

vapor pressure 

60.66Pa at 25℃

refractive index 

n20/D 1.479(lit.)

Flash point:

204 °F

storage temp. 

Inert atmosphere,Room Temperature

form 

Liquid

Specific Gravity

1.416

color 

Clear pink or yellow

Water Solubility 

decomposes

Sensitive 

Lachrymatory

BRN 

881040

LogP

2.086

CAS DataBase Reference

312-94-7(CAS DataBase Reference)

NIST Chemistry Reference

2-(Trifluoromethyl)benzoyl chloride(312-94-7)

Safety Information

Hazard Codes 

C

Risk Statements 

34-37-29

Safety Statements 

26-36/37/39-45-8

RIDADR 

UN 3265 8/PG 2

WGK Germany 

3

F 

19-21

Hazard Note 

Corrosive/Lachrymatory

HazardClass 

8

PackingGroup 

II

HS Code 

29163990

Toxicity

skn-rbt 500 mg/24H MOD FCTXAV 13,681,75

MSDS

• Language:English Provider:alpha,alpha,alpha-Trifluoro-o-toluoyl chloride
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

2-(Trifluoromethyl)benzoyl chloride Usage And Synthesis

Chemical Properties

colorlesstolightyellowliqui

Uses

2-(Trifluoromethyl)benzoyl chloride may be used in chemical synthesis.

Safety Profile

A skin irritant. When heated todecomposition it emits acrid smoke and irritating fumes.

Synthesis

Step 2: Synthesis of 2-(trifluoromethyl)benzoyl chloride Oxalyl chloride (36.72 mg, 0.29 mmol) was slowly added to a stirred solution of 2-(trifluoromethyl)benzoic acid (50 mg, 0.26 mmol) in dichloromethane (3 mL) followed by dropwise addition of N,N-dimethylformamide (DMF, 4 drops). The resulting reaction mixture was stirred at room temperature for 1 hour. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure and 2-(trifluoromethyl)benzoyl chloride (95.6 mg, 100% yield) was obtained quantitatively, which was used directly in the subsequent reaction without purification.

References

[1] Patent: US2010/160323, 2010, A1. Location in patent: Page/Page column 28
[2] Journal of the American Chemical Society, 1947, vol. 69, p. 2352
[3] Bulletin de la Societe Chimique de France, 1962, p. 587 - 593
[4] Journal of Medicinal Chemistry, 1982, vol. 25, # 2, p. 145 - 152
[5] Journal of Medicinal Chemistry, 1999, vol. 42, # 6, p. 981 - 991

2-(Trifluoromethyl)benzoyl chloride(312-94-7)Related Product Information

• 3-(Trifluoromethyl)benzaldehyde
• Allylbenzene
• Trifluoromethanesulfonic acid
• Calcium chloride
• Polyvinyl chloride
• 2-Fluorobenzoyl chloride
• Benzoyl chloride
• 2-(Trifluoromethyl)benzoic acid
• 2-(Trifluoromethyl)benzaldehyde
• 2-Aminobenzotrifluoride
• 3-Methylbenzoyl chloride
• 4-(Chloromethyl)benzoyl chloride
• Choline chloride
• p-Toluoyl chloride
• 2-(Trifluoromethyl)benzyl chloride
• Benzene
• Benzoyl peroxide
• 2,4,6-Trimethylbenzoyl chloride