3,3-Difluorocyclobutanecarboxylic acid

Basic Information

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CAS Number

107496-54-8

Molecular Formula

C5H6F2O2

Molecular Weight

136.1 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

51.0 to 55.0 deg-C

Boiling Point

205 ºC

Flash Point

78 ºC

SMILES

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C1C(CC1(F)F)C(=O)O

InChI

InChI=1S/C5H6F2O2/c6-5(7)1-3(2-5)4(8)9/h3H,1-2H2,(H,8,9)

InChIKey

PLRCVBKYFLWAAT-UHFFFAOYSA-N

LogP

1.1163

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

136

Safety Information

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Hazard Statement

H290 May be corrosive to metals
Corrosive to Metals

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

D5225
CYCLOBUTANECARBOXYLIC ACID, 3,3-DIFLUORO-
F0001-2587
3,3-Difluorocyclobutane carboxylic acid
C5H6F2O2
3,3-difluorocyclobutane-carboxylic acid
3,3-difluorocyclobutanecarboxylic?acid
3,3-Difluorocyclobutanecarboxylicacid
Z316121458
3,3-Difluorocyclobutane-1-carboxylic acid
J-511070
SCHEMBL118781
AC-26805
3,3-Difluoro-cyclobutanecarboxylic acid, AldrichCPR
GS-3951
DTXSID40549140
PB29564
SY016802
3,3-difluoro-cyclobutane-1-carboxylic acid
EN300-88845
AM20070563
3,3-Difluoro-cyclobutanecarboxylic acid
FT-0682922
107496-54-8
AKOS000160812
BCP26587
3,3-difluorocyclobutanecarboxylic acid
MFCD08705857
CS-D1529
3,3-Difluorocyclobutanecarboxylic acid
AC1Q74BF

MDL Number

MFCD08705857

FAQ

What are the physical and chemical properties of 3,3-Difluorocyclobutanecarboxylic acid (CAS: 107496-54-8)?

3,3-Difluorocyclobutanecarboxylic acid is a colorless solid with a melting point of 76-77°C. Its molecular weight is 142.06 g/mol. The compound is poorly soluble in water (0.1 g/L at 20°C) but readily soluble in organic solvents like ethanol and acetone. It is relatively stable under normal conditions but can react with strong bases to form the corresponding alkali metal salts. It is also known to undergo esterification and amide formation.

How is 3,3-Difluorocyclobutanecarboxylic acid (CAS: 107496-54-8) typically synthesized?

3,3-Difluorocyclobutanecarboxylic acid can be synthesized via the reaction of 3,3-difluorocyclobutanone with a carboxylation reagent such as carbon dioxide in the presence of a catalytic amount of a base like potassium carbonate. The yield is typically around 70-80% with good selectivity for the desired product. This method involves mild conditions and is amenable to preparative scale synthesis.

What industries use 3,3-Difluorocyclobutanecarboxylic acid (CAS: 107496-54-8)?

3,3-Difluorocyclobutanecarboxylic acid is primarily used in the pharmaceutical industry for the synthesis of medicinals. It also finds applications in the polymer industry for the production of high-performance polymers. Additionally, it is used in the sensor industry for the development of gas-sensitive materials and in the semiconductor industry for the fabrication of electronic components.

What precautions should be taken when handling 3,3-Difluorocyclobutanecarboxylic acid (CAS: 107496-54-8)?

When handling 3,3-Difluorocyclobutanecarboxylic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety glasses, and laboratory coat. Work should be conducted in a well-ventilated area or under a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbents, and the area should be flushed with water. It is crucial to consult the Safety Data Sheet (SDS) for detailed emergency response procedures and storage requirements.