3-Bromo-5-methyl-1,2-oxazole-4-carboxylic acid

Basic Information

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CAS Number

130742-22-2

Molecular Formula

C5H4BrNO3

Molecular Weight

205.99 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

350 ºC

Flash Point

165 ºC

Refractive Index

1.567

SMILES

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CC1=C(C(=NO1)Br)C(=O)O

InChI

InChI=1S/C5H4BrNO3/c1-2-3(5(8)9)4(6)7-10-2/h1H3,(H,8,9)

InChIKey

MWOSKCLDLLPNFA-UHFFFAOYSA-N

LogP

1.4437200000000001

Topological Polar Surface Area

63.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

152

Synonyms & References

English

4-Isoxazolecarboxylic acid, 3-bromo-5-methyl-
130742-22-2
4-Isoxazolecarboxylicacid,3-bromo-5-methyl-(9CI)
AKOS015917800
3-BROMO-5-METHYL-ISOXAZOLE-4-CARBOXYLIC ACID
SB32749
DTXSID10445024
AT19722
3-Bromo-5-methylisoxazole-4-carboxylic acid
FT-0712592
CS-0308260
MFCD11520870
3-bromo-5-methyl-1,2-oxazole-4-carboxylic Acid
EN300-112834
SCHEMBL6081229
3-bromo-5-methyl-1,2-oxazole-4-carboxylic acid
4-Isoxazolecarboxylicacid, 3-bromo-5-methyl-
4-Isoxazolecarboxylicacid,3-bromo-5-methyl
3-Bromo-5-methylisoxazole-4-carboxylicaci
3-Bromo-5-methyl-isoxazole-4-carboxylic acid

MDL Number

MFCD11520870

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 3-Bromo-5-methyl-1,2-oxazole-4-carboxylic acid (CAS: 130742-22-2)?

3-Bromo-5-methyl-1,2-oxazole-4-carboxylic acid (CAS: 130742-22-2) falls under the scope of the REACH regulation, which requires manufacturers and importers to register substances with the European Chemicals Agency (ECHA). It also needs to comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for proper hazard communication. Additionally, the EPA and FDA may have specific requirements for its use in the U.S., including registration as a chemical substance under TSCA (Toxic Substances Control Act) and as a dangerous good under DOT regulations.

Are there alternatives to 3-Bromo-5-methyl-1,2-oxazole-4-carboxylic acid in synthesis?

Several alternatives to 3-Bromo-5-methyl-1,2-oxazole-4-carboxylic acid can be used in synthesis, including 3-methyl-1,2-oxazole-4-carboxylic acid and 3-bromo-5-methyl-1,2-oxazole-4-carbonitrile. These can serve as precursors for the desired brominated compound, offering similar functional groups for further modification. Common reagents like bromine or N-bromosuccinimide can be used to introduce the bromine substituent in a controlled manner.

What is the market or research trend for 3-Bromo-5-methyl-1,2-oxazole-4-carboxylic acid?

The demand for 3-Bromo-5-methyl-1,2-oxazole-4-carboxylic acid (CAS: 130742-22-2) is driven by its use in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Recent research trends focus on its role as a key intermediate in the synthesis of biologically active compounds. Market trends indicate a steady demand, with potential growth in emerging pharmaceutical markets. Research is also exploring its use in other applications such as polymer science and material science.

How should waste containing 3-Bromo-5-methyl-1,2-oxazole-4-carboxylic acid be handled?

Waste containing 3-Bromo-5-methyl-1,2-oxazole-4-carboxylic acid (CAS: 130742-22-2) should be collected in appropriate containers and stored in a secure, well-ventilated area. The waste should be neutralized to prevent the release of harmful bromine compounds before disposal. Incineration is a common and safe method for disposal, provided it is conducted in an approved facility. Alternatively, professional waste disposal services can handle the waste, ensuring environmental protection and compliance with local regulations. Always follow local and industry-specific guidelines for waste management and disposal.