3-fluoro-4-iodobenzoic acid

Basic Information

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CAS Number

825-98-9

Molecular Formula

C7H4FIO2

Molecular Weight

266.01 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

Basic Physical Properties

Melting Point

232-236°C

SMILES

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OC(=O)c1ccc(I)c(F)c1

InChI

InChI=1S/C7H4FIO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)

InChIKey

KPMBAMKKTJSICO-UHFFFAOYSA-N

LogP

2.1285

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

3-Fluoro-4-iodobenzoic acid
Benzoic acid,3-fluoro-4-iodo-
C7H4FIO2

MDL Number

MFCD07774250

FAQ

What are the physical and chemical properties of 3-fluoro-4-iodobenzoic acid (CAS: 825-98-9)?

3-Fluoro-4-iodobenzoic acid (CAS: 825-98-9) is a crystalline solid with a molecular weight of approximately 289.01 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol. Chemically, it is relatively stable but can react with strong bases to form salts. It is typically used in organic synthesis and pharmaceuticals.

How is 3-fluoro-4-iodobenzoic acid (CAS: 825-98-9) typically synthesized?

3-Fluoro-4-iodobenzoic acid (CAS: 825-98-9) is synthesized through the iodination of 3-fluorobenzoic acid. Common methods include using sodium iodide in the presence of a base like potassium carbonate under reflux. Selectivity and yield can be improved with the use of phase transfer catalysts.

What industries use 3-fluoro-4-iodobenzoic acid (CAS: 825-98-9)?

3-Fluoro-4-iodobenzoic acid (CAS: 825-98-9) is primarily used in the pharmaceutical industry for the synthesis of medicinal compounds. It also finds applications in the production of certain dyes and pigments, and in the development of organic sensors and semiconductors.

What precautions should be taken when handling 3-fluoro-4-iodobenzoic acid (CAS: 825-98-9)?

When handling 3-fluoro-4-iodobenzoic acid (CAS: 825-98-9), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle in a fume hood due to its potential volatility. Store in a cool, dry place away from direct sunlight. In case of spills, neutralize the acid with a base and dispose of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed information.