2,4-Difluoro-5-iodobenzoic acid

Basic Information

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CAS Number

161531-51-7

Molecular Formula

C7H3F2IO2

Molecular Weight

284 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

151-152℃

SMILES

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OC(=O)c1cc(I)c(F)cc1F

InChI

InChI=1S/C7H3F2IO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,(H,11,12)

InChIKey

OSBABFNFGBPWGL-UHFFFAOYSA-N

LogP

2.2676000000000007

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

188

Safety Information

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Sensitiveness

Light Sensitive

Synonyms & References

English

2,4-Difluoro-5-iodobenzoic acid
2,4,6-TRIFLUORO-3,5-BIS(HYDROXYMETHYL)BENZOTRIFLUORIDE
Benzoic acid,2,4-difluoro-5-iodo
2,4-difluoro-5-iodo-benzoic Acid
Benzoic acid, 2,4-difluoro-5-iodo-
5-Iodo-2,4-difluorobenzoic acid
OSBABFNFGBPWGL-UHFFFAOYSA-N
BBL100847
8170AA
STL554641
AB0079983
ST24038661
Z1474026237
2,4-difluoro-5-iodobenzoic acid

MDL Number

MFCD11226506

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 2,4-Difluoro-5-iodobenzoic acid (CAS: 161531-51-7)?

2,4-Difluoro-5-iodobenzoic acid (CAS: 161531-51-7) is subject to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements. GHS categorizes it under specific hazard classes based on its physicochemical and toxicological properties. REACH regulations govern its production and trade within the European Union, requiring suppliers to provide Safety Data Sheets (SDS) and register substances above a certain tonnage. FDA and EPA regulations ensure its safe handling and disposal in the United States.

Are there alternatives to 2,4-Difluoro-5-iodobenzoic acid (CAS: 161531-51-7) in synthesis?

2,4-Difluoro-5-iodobenzoic acid (CAS: 161531-51-7) can be synthesized as an alternative to similar compounds like 2,4-difluorobenzoic acid. Common alternative reagents include fluoroform, iodine, and various coupling agents. Isomers such as 5-fluoro-2-iodobenzoic acid can also be considered in some synthetic pathways. The choice of alternative depends on the specific application and desired properties of the final product.

What is the market or research trend for 2,4-Difluoro-5-iodobenzoic acid (CAS: 161531-51-7)?

The market for 2,4-Difluoro-5-iodobenzoic acid (CAS: 161531-51-7) is growing due to its applications in pharmaceuticals, agrichemicals, and fine chemicals. Research trends focus on its use as a key intermediate in drug synthesis and as a novel fungicide. Demand is influenced by advancements in green chemistry and sustainable manufacturing processes. Market dynamics are also shaped by cost trends and regulatory changes affecting its production and trade.

How should waste containing 2,4-Difluoro-5-iodobenzoic acid (CAS: 161531-51-7) be handled?

Waste containing 2,4-Difluoro-5-iodobenzoic acid (CAS: 161531-51-7) should be collected in appropriate containers and stored separately from incompatible materials. Incineration is a common disposal method for such waste, ensuring it is handled by trained professionals. Environmental protection measures include proper containment to prevent spills and the use of personal protective equipment during handling. Hazardous waste disposal regulations must be followed to ensure safety and compliance with local and international standards.