Methyl 4-bromo-2-nitrobenzoate

Basic Information

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CAS Number

158580-57-5

Molecular Formula

C8H6BrNO4

Molecular Weight

260.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Flash Point

151.9℃

SMILES

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COC(=O)c1ccc(cc1[N+](=O)[O-])Br

InChI

InChI=1S/C8H6BrNO4/c1-14-8(11)6-3-2-5(9)4-7(6)10(12)13/h2-4H,1H3

InChIKey

YTWDMAAPIWOIFZ-UHFFFAOYSA-N

LogP

2.66710

Complexity

240

Synonyms & References

English

Methyl 4-bromo-2-nitrobenzoate
Benzoic acid, 4-bromo-2-nitro-, methyl ester
YTWDMAAPIWOIFZ-UHFFFAOYSA-N
SB12305
TRA0095146
SY010725
4-Bromo-2-nitro-benzoic acid methyl ester
ST2419574
V3566
methyl 4-bromo-2-nitrobenzoate

MDL Number

MFCD10699645

FAQ

What regulatory guidelines apply to Methyl 4-bromo-2-nitrobenzoate (CAS: 158580-57-5)?

Methyl 4-bromo-2-nitrobenzoate (CAS: 158580-57-5) falls under the regulatory guidelines set by the GHS (Globally Harmonized System of Classification and Labelling of Chemicals) for hazardous materials. It is also subject to the REACH regulations in the European Union, requiring registration if the substance is manufactured or imported in quantities above the threshold. FDA and EPA regulations may apply for its use in specific applications, such as in pharmaceuticals or pesticides.

Are there alternatives to Methyl 4-bromo-2-nitrobenzoate (CAS: 158580-57-5) in synthesis?

There are several alternatives to Methyl 4-bromo-2-nitrobenzoate in synthesis, including other nitrobenzoic acid derivatives such as Methyl 3-bromo-2-nitrobenzoate or Methyl 4-nitro-2-chlorobenzoate. These can be used depending on the specific reaction conditions and desired product. Additionally, synthetic analogs such as Methyl 4-bromo-3-nitrobenzoate can be considered as alternatives.

What is the market or research trend for Methyl 4-bromo-2-nitrobenzoate (CAS: 158580-57-5)?

The market for Methyl 4-bromo-2-nitrobenzoate is driven by its use in research and development, particularly in the pharmaceutical and chemical industries. There is an increasing trend in the development of novel compounds for drug discovery and synthesis. Research efforts are focusing on the potential of this compound in various applications, including as a precursor for drug synthesis and as a reagent in organic synthesis.

How should waste containing Methyl 4-bromo-2-nitrobenzoate (CAS: 158580-57-5) be handled?

Waste containing Methyl 4-bromo-2-nitrobenzoate should be collected and stored in a sealed container to prevent leakage. Proper waste disposal methods include incineration for hazardous waste, or professional waste disposal services. It is crucial to follow local regulations and guidelines for handling and disposing of this compound. Environmental protection precautions, such as minimizing the risk of water contamination, should be taken during waste management processes.