4,4,4-Trifluorobutanoic acid

Basic Information

View in Editor

CAS Number

406-93-9

Molecular Formula

C4H5F3O2

Molecular Weight

142.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

31°C

Boiling Point

167°C

Water Solubility

Soluble in water.

Refractive Index

n20/D 1.351

SMILES

View in Editor

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

InChI

InChI=1S/C4H5F3O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9)

InChIKey

WTUCTMYLCMVYEX-UHFFFAOYSA-N

LogP

1.4135

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

107

Safety Information

View Safety Information

GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

AS-18352
3-trifluoromethylpropionic acid
4, 4,4-trifluorobutyric acid
SCHEMBL38157
J-513966
4,4,4-trifluorobutanoic acid
T2670
4,4,4-trifluoro butyric acid
C4H5F3O2
PB42775
4,4,4-Trifluorobutyric Acid
EN300-75982
4,4,4-trifluoro-butyric acid
CS-W007460
406-93-9
F2191-0043
trifluoropropylcarboxylic acid
MFCD00077604
4,4,4-TrifluorobutyricAcid
YGLZPAOQFPGTDO-UHFFFAOYSA-N
1:3 fluorotelomer carboxylic acid, 1:3 fluorotelomer acid
FT-0616973
DTXSID30380367
BUTANOIC ACID, 4,4,4-TRIFLUORO-
4,4,4-Trifluorobutyric acid, 97%
SY004841
AKOS005063381
AMY6768
4,4,4,-trifluorobutyric acid
4,4,4-Trifluorobutyric acid, AldrichCPR
1:3 fluorotelomer carboxylic acid

MDL Number

MFCD00077604

FAQ

What are the physical and chemical properties of 4,4,4-Trifluorobutanoic acid (CAS: 406-93-9)?

4,4,4-Trifluorobutanoic acid is a colorless liquid with a molecular weight of approximately 170.07 g/mol. It has a high boiling point of 225-227°C and a low solubility in water. This compound is relatively stable under normal conditions but can react with strong bases to form salts. It is slightly soluble in water and has limited solubility in organic solvents like ethanol and acetone.

How is 4,4,4-Trifluorobutanoic acid (CAS: 406-93-9) typically synthesized?

4,4,4-Trifluorobutanoic acid is typically synthesized via the reaction of trifluoroacetyl chloride with 1-butanol in the presence of a base like sodium hydride. The process involves the stepwise formation of an acetoxy derivative followed by hydrolysis to form the carboxylic acid. The yield can be up to 80%, with good selectivity towards the desired product.

What industries use 4,4,4-Trifluorobutanoic acid (CAS: 406-93-9)?

4,4,4-Trifluorobutanoic acid is used in various industries, including pharmaceuticals, where it serves as a precursor for drug synthesis; polymers, where it can be used in the development of special polymer additives; and in the production of sensors and semiconductors, where its unique chemical properties make it suitable for specific applications.

What precautions should be taken when handling 4,4,4-Trifluorobutanoic acid (CAS: 406-93-9)?

Proper handling of 4,4,4-Trifluorobutanoic acid requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a well-ventilated area and use a fume hood when handling. In case of a spill, contain it with absorbent material and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety guidelines.