2,5-Bis(trifluoromethyl)phenol

Basic Information

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CAS Number

779-88-4

Molecular Formula

C8H4F6O

Molecular Weight

230.11 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

185.2℃ at 760 mmHg

Density

1.485

Flash Point

65.8°C

Refractive Index

1.406

SMILES

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C1=CC(=C(C=C1C(F)(F)F)O)C(F)(F)F

InChI

InChI=1S/C8H4F6O/c9-7(10,11)4-1-2-5(6(15)3-4)8(12,13)14/h1-3,15H

InChIKey

OJOPQGWFLQVKDU-UHFFFAOYSA-N

LogP

3.4298

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

220

Synonyms & References

English

779-88-4
Phenol, 2,5-bis(trifluoromethyl)-
OJOPQGWFLQVKDU-UHFFFAOYSA-N
CS-0157120
AM61679
FT-0632950
AKOS015907649
AS-31236
MFCD04973414
DTXSID00394850
2 pound not5-Bis(trifluoromethyl)phenol
SY020757
A839307
2,5-bis(trifluoromethyl)phenol
SCHEMBL2001354
2,5-Bis(trifluoromethyl)phenol
C8H4F6O
VZ22686
TRA0054329
AS06953
AX8010847
W8433
ST24027331

MDL Number

MFCD04973414

Customs Code

2908199090

FAQ

What are the physical and chemical properties of 2,5-Bis(trifluoromethyl)phenol (CAS: 779-88-4)?

2,5-Bis(trifluoromethyl)phenol (CAS: 779-88-4) is a colorless crystalline solid with a molecular weight of approximately 224.14 g/mol. It has low water solubility but good solubility in organic solvents such as acetone and methanol. Chemically, it is relatively stable but can react with strong bases to form trifluoromethyl phenol salts. It has high reactivity towards nucleophiles and can be used as a precursor in various organic syntheses.

How is 2,5-Bis(trifluoromethyl)phenol (CAS: 779-88-4) typically synthesized?

2,5-Bis(trifluoromethyl)phenol can be synthesized via the reaction of 2,5-dichlorophenol with potassium trifluoroacetate in the presence of sodium hydroxide. The process typically yields a product with a high purity of over 95%. Other methods include the use of trifluoroacetic anhydride and phenol in the presence of a base. The reaction is highly selective and provides a good yield.

What industries use 2,5-Bis(trifluoromethyl)phenol (CAS: 779-88-4)?

2,5-Bis(trifluoromethyl)phenol (CAS: 779-88-4) is used in various industries, including pharmaceuticals for the synthesis of drugs such as antivirals, in polymers for its flame retardant properties, in sensors for its ability to detect certain chemicals, and in semiconductors for its use in photoresists and etching processes.

What precautions should be taken when handling 2,5-Bis(trifluoromethyl)phenol (CAS: 779-88-4)?

When handling 2,5-Bis(trifluoromethyl)phenol (CAS: 779-88-4), use appropriate personal protective equipment such as gloves, safety goggles, and a lab coat. Store it in a well-ventilated area away from heat sources and reduce the risk of inhalation by working under a fume hood. In case of a spill, immediately clean with a suitable solvent and consult a Material Safety Data Sheet (MSDS) for detailed instructions.