3,5-Dichloro-4-fluorobenzotrifluoride Chemical Properties

Boiling point:

166-168 °C (lit.)

Density 

1.555 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.462(lit.)

Flash point:

164 °F

storage temp. 

Storage temp. 2-8°C

form 

liquid

color 

Clear

BRN 

6199573

InChI

1S/C7H2Cl2F4/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H

InChIKey

BWQFQKZDLBJZAW-UHFFFAOYSA-N

SMILES

Fc1c(Cl)cc(cc1Cl)C(F)(F)F

CAS DataBase Reference

77227-81-7(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

22-41

Safety Statements 

26-36

RIDADR 

UN 2810 6.1/PG 3

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29039990

Storage Class

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects

Hazard Classifications

Acute Tox. 3 Oral
Eye Dam. 1

MSDS

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

3,5-Dichloro-4-fluorobenzotrifluoride Usage And Synthesis

Chemical Properties

CLEAR LIGHT YELLOW LIQUID

Uses

3,5-Dichloro-4-fluorobenzotrifluoride may be used for the synthesis of 3-[4-[1-(2,6-dichloro-3-iodo-4-trifluoromethylphenyl)-5-iodopyrazolo]]-3-(trifluoromethyl)diazirine.

General Description

3,5-Dichloro-4-fluorobenzotrifluoride is an aryl fluorinated building block.

Synthesis

In a 1L three-necked reaction flask equipped with a stirrer, reflux condenser and temperature ground, 200 g of 3,4,5-trichlorobenzotrifluoride and 200 g of potassium fluoride and 500 ml of cyclobutanesulfone were added, then heated to 190??C, kept warm and stirred for 20 hours and then cooled down to 100??C. 200 g of the crude product (containing about 10% of the cyclobutanesulfone) was evaporated under 0.01 MPa pressure. Then the temperature was raised to 150 ?? and the pressure was reduced to recover the cyclobutanesulfone (can be directly used in the next batch of reaction). 200 g of crude 3,5-dichloro-4-fluorobenzotrifluoride was directly used in the next step of the ammoniation reaction.

3,5-Dichloro-4-fluorobenzotrifluoride (77227-81-7)Related Product Information

• 3-Fluorobenzotrifluoride
• 2-Chloro-4-fluorotoluene
• 2,4-Dichlorobenzotrifluoride
• 2-Methylbenzotrifluoride
• 4-Fluorobenzotrifluoride
• Benzotrifluoride
• 2-Fluorobenzotrifluoride
• 1,4-Bis(trifluoromethyl)-benzene
• 4-Bromobenzotrifluoride
• Diethylstilbestrol
• 3-Aminobenzotrifluoride
• Allylbenzene
• 3,4-Dichlorobenzotrifluoride
• Ethylbenzene
• Benzene
• Dichlorodifluoromethane
• 3-Chloro-4-fluorobenzotrifluoride
• Dichlorofluoroethane