2-Iodo-4-methylbenzoic acid

Basic Information

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CAS Number

1829-21-6

Molecular Formula

C8H7IO2

Molecular Weight

262.05 g/mol

Basic Physical Properties

SMILES

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Cc1ccc(c(c1)I)C(=O)O

InChI

InChI=1S/C8H7IO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)

InChIKey

WNVUYAMRIXEZAT-UHFFFAOYSA-N

LogP

2.29782

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

158

Synonyms & References

English

Benzoic acid, 2-iodo-4-methyl-
2-Iodo-4-methylbenzoic acid
3-iodo-4-toluic acid
4-methyl-2-iodobenzoic acid
WNVUYAMRIXEZAT-UHFFFAOYSA-
WNVUYAMRIXEZAT-UHFFFAOYSA-N
SC5074
AK201253
2-iodo-4-methylbenzoic acid

MDL Number

MFCD01312232

FAQ

What regulatory guidelines apply to 2-Iodo-4-methylbenzoic acid (CAS: 1829-21-6)?

2-Iodo-4-methylbenzoic acid (CAS: 1829-21-6) is subject to various regulatory guidelines including GHS classification, which categorizes it based on its health and environmental hazards. For manufacturing and import/export, the EU REACH regulations require notification and registration. In the USA, the FDA and EPA have specific requirements for the handling, storage, and disposal of this compound to ensure safety and compliance with environmental protection laws.

Are there alternatives to 2-Iodo-4-methylbenzoic acid (CAS: 1829-21-6) in synthesis?

While 2-Iodo-4-methylbenzoic acid (CAS: 1829-21-6) is a specific compound, there are alternatives that can be used in synthesis, such as 2-Iodo-3-methylbenzoic acid or 4-Chloro-2-methylbenzoic acid. These alternatives can serve similar purposes in certain reactions, providing flexibility in synthetic routes and potentially offering different reactivity profiles depending on the application.

What is the market or research trend for 2-Iodo-4-methylbenzoic acid (CAS: 1829-21-6)?

The market for 2-Iodo-4-methylbenzoic acid (CAS: 1829-21-6) is relatively niche, primarily driven by its use in organic synthesis and pharmaceuticals. Research trends are shifting towards exploring its properties in drug development and as a precursor in chemical reactions. Due to its specific functional groups, it is often sought after for its reactivity in various chemical transformations, making it a valuable compound in academic and industrial research.

How should waste containing 2-Iodo-4-methylbenzoic acid (CAS: 1829-21-6) be handled?

Waste containing 2-Iodo-4-methylbenzoic acid (CAS: 1829-21-6) should be handled with care due to its potential environmental and health impacts. It is recommended to collect waste liquids in appropriate containers and ensure proper incineration or professional waste disposal services. Environmental protection precautions include neutralizing the waste with appropriate agents to reduce its hazardous properties before disposal, adhering to local and national regulations to prevent contamination of soil and water sources.