3-Fluoro-5-hydroxybenzoic acid

Basic Information

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CAS Number

860296-12-4

Molecular Formula

C7H5FO3

Molecular Weight

156.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

214-215℃ (ethyl acetate hexane )

Boiling Point

351.8℃ at 760 mmHg

Density

1.492±0.06 g/cm3 (20 ºC 760 Torr)

Flash Point

166.5°C

Refractive Index

1.585

SMILES

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OC(=O)c1cc(O)cc(F)c1

InChI

InChI=1S/C7H5FO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,(H,10,11)

InChIKey

PYZWGHVZOQTMCW-UHFFFAOYSA-N

LogP

1.2295

Topological Polar Surface Area

57.53 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

160

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-Fluoro-5-hydroxybenzoic acid
CL8086
3-Fluoro-5-hydroxybenzoicAcid
3-fluoro-5-hydroxy-benzoic Acid
PYZWGHVZOQTMCW-UHFFFAOYSA-N
SBB087118
BDBM50391822
AB64637
SY030488
AB0027054
3-Fluoro-5-hydroxybenzoic acid, AldrichCPR
W8841
ST24028526
3-fluoro-5-hydroxybenzoic acid

MDL Number

MFCD11846515

Customs Code

2918290000

FAQ

What are the physical and chemical properties of 3-Fluoro-5-hydroxybenzoic acid (CAS: 860296-12-4)?

3-Fluoro-5-hydroxybenzoic acid is a crystalline solid with a molecular weight of 182.05 g/mol. It has a pKa of approximately 3.2 and shows moderate solubility in water (1 g/100 mL at 25°C). This compound is relatively stable under normal conditions but can react with bases to form the corresponding salts. It is slightly reactive towards nucleophiles and can undergo esterification and other acid-catalyzed reactions.

How is 3-Fluoro-5-hydroxybenzoic acid (CAS: 860296-12-4) typically synthesized?

3-Fluoro-5-hydroxybenzoic acid can be synthesized through the protection and subsequent deprotection of 5-hydroxybenzoic acid. This involves protecting the carboxylic acid group with a suitable reagent, followed by introducing a fluoro group using fluorination techniques. Common methods include nucleophilic substitution or electrophilic aromatic substitution strategies, with yield typically around 70-80%.

What industries use 3-Fluoro-5-hydroxybenzoic acid (CAS: 860296-12-4)?

3-Fluoro-5-hydroxybenzoic acid is primarily used in the pharmaceutical industry for the synthesis of various drug intermediates. It also finds applications in the production of certain polymer additives, where its functional groups can enhance specific properties. Additionally, it is used in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 3-Fluoro-5-hydroxybenzoic acid (CAS: 860296-12-4)?

When handling 3-Fluoro-5-hydroxybenzoic acid, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a well-ventilated fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate disposal methods. Always consult the material safety data sheet (MSDS) for detailed safety information and follow all local safety regulations.