3-Bromo-4-ethylbenzoic acid

Basic Information

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CAS Number

99548-53-5

Molecular Formula

C9H9BrO2

Molecular Weight

229.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

165 ºC (ethanol )

Density

1.517±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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CCC1=C(C=C(C=C1)C(=O)O)Br

InChI

InChI=1S/C9H9BrO2/c1-2-6-3-4-7(9(11)12)5-8(6)10/h3-5H,2H2,1H3,(H,11,12)

InChIKey

XUESCTMXEQFNKI-UHFFFAOYSA-N

LogP

2.7097000000000007

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

170

Synonyms & References

English

BCP20940
CS-W021861
MFCD03819559
3-Bromo-4-ethylbenzoicacid
ZDA54853
3-bromo-4-ethyl-benzoic Acid
AKOS015842894
C77389
EN300-204167
99548-53-5
3-bromanyl-4-ethyl-benzoic acid
A846043
SCHEMBL3576069
DTXSID70428510
FT-0659015
3-bromo-4-ethylbenzoic acid
XUESCTMXEQFNKI-UHFFFAOYSA-N
DS-17824
3-Bromo-4-ethylbenzoic acid
Benzoic acid, 3-bromo-4-ethyl-

MDL Number

MFCD03819559

FAQ

What regulatory guidelines apply to 3-Bromo-4-ethylbenzoic acid (CAS: 99548-53-5)?

3-Bromo-4-ethylbenzoic acid (CAS: 99548-53-5) falls under the purview of various regulatory guidelines. It is classified by the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a hazardous substance. In the European Union, it is regulated under REACH, which requires manufacturers and importers to register substances if they meet the tonnage threshold. Additionally, the FDA and EPA may have specific requirements for its handling, storage, and disposal in the context of pharmaceutical and environmental safety.

Are there alternatives to 3-Bromo-4-ethylbenzoic acid (CAS: 99548-53-5) in synthesis?

Several alternatives to 3-Bromo-4-ethylbenzoic acid (CAS: 99548-53-5) are available for synthesis, including 3-bromo-4-methylbenzoic acid and 3-bromo-4-phenylbenzoic acid. These compounds can be used as starting materials for similar chemical processes. Chemists may also explore the use of isomers or analogs such as 2-bromo-4-ethylbenzoic acid or 3-iodo-4-ethylbenzoic acid, depending on the specific requirements of the synthesis.

What is the market or research trend for 3-Bromo-4-ethylbenzoic acid (CAS: 99548-53-5)?

The market for 3-Bromo-4-ethylbenzoic acid (CAS: 99548-53-5) is driven by its use in pharmaceuticals and research applications. Recent trends indicate increased interest in its role as a precursor for drug development and as a component in organic synthesis. Research is also exploring its potential as an intermediate in the synthesis of other brominated compounds. The demand for this compound is expected to grow due to its versatile applications in the chemical industry.

How should waste containing 3-Bromo-4-ethylbenzoic acid (CAS: 99548-53-5) be handled?

Waste containing 3-Bromo-4-ethylbenzoic acid (CAS: 99548-53-5) should be handled according to local and international hazardous waste regulations. Collection should be done in properly labeled containers, and the waste should be disposed of by a licensed waste disposal company. Incineration is a common method for disposal, but it must be performed in a controlled environment to prevent the release of harmful fumes. Environmental protection measures include the use of appropriate personal protective equipment and the implementation of containment measures to prevent spills or leaks.