3-Fluoro-5-iodo-4-methylbenzoic acid

Basic Information

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CAS Number

861905-94-4

Molecular Formula

C8H6FIO2

Molecular Weight

280.04 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

Boiling Point

348℃

Density

1.937

Flash Point

164℃

SMILES

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Cc1c(F)cc(cc1I)C(=O)O

InChI

InChI=1S/C8H6FIO2/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12)

InChIKey

PODTVAOVOKWNDI-UHFFFAOYSA-N

LogP

2.4369199999999998

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-Fluoro-4-methyl-5-iodobenzoic acid
3-Fluoro-5-iodo-4-methylbenzenecarboxylic acid
3-Fluoro-5-Iodo-4-Methylbenzoic Acid
Benzoic acid, 3-fluoro-5-iodo-4-methyl-
3-fluoro-5-iodo-4-methyl-benzoic acid

MDL Number

MFCD16622791

FAQ

What regulatory guidelines apply to 3-Fluoro-5-iodo-4-methylbenzoic acid (CAS: 861905-94-4)?

3-Fluoro-5-iodo-4-methylbenzoic acid (CAS: 861905-94-4) is subject to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) and the REACH regulations in the European Union. Additionally, it may be regulated by the FDA and EPA in the United States for specific applications. Manufacturers and handlers must ensure compliance with local and national regulations regarding hazardous chemicals.

Are there alternatives to 3-Fluoro-5-iodo-4-methylbenzoic acid (CAS: 861905-94-4) in synthesis?

Alternative reagents that can be used in synthesis include 3-chloro-5-iodo-4-methylbenzoic acid and 3-bromo-5-iodo-4-methylbenzoic acid. These compounds can serve as effective substitutes in certain synthetic pathways. The choice of alternative depends on the specific reaction conditions and desired product purity.

What is the market or research trend for 3-Fluoro-5-iodo-4-methylbenzoic acid (CAS: 861905-94-4)?

The market for 3-Fluoro-5-iodo-4-methylbenzoic acid (CAS: 861905-94-4) is driven by its applications in pharmaceutical and agrochemical industries. Research trends include its use as a precursor in drug synthesis and as a functional group in medicinal chemistry. Emerging studies focus on optimizing its synthesis and exploring new applications in organic chemistry.

How should waste containing 3-Fluoro-5-iodo-4-methylbenzoic acid (CAS: 861905-94-4) be handled?

Waste containing 3-Fluoro-5-iodo-4-methylbenzoic acid (CAS: 861905-94-4) should be collected in appropriate containers and stored in a well-ventilated area. Disposal should follow local regulations and guidelines for hazardous waste. Incineration is a common method, but ensure it is conducted in a controlled environment to minimize environmental impact. Always consult with environmental protection authorities for specific disposal instructions.