Methyl 2-iodo-3-nitrobenzoate

Basic Information

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CAS Number

93415-79-3

Molecular Formula

C8H6INO4

Molecular Weight

307.04 g/mol

Basic Physical Properties

SMILES

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COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])I

InChI

InChI=1S/C8H6INO4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,1H3

InChIKey

CMCWXWQXFLAUFM-UHFFFAOYSA-N

LogP

2.50920

Complexity

240

Synonyms & References

English

Benzoic acid,2-iodo-3-nitro-, methyl ester
2-IODO-3-NITROBENZOIC ACID METHYL ESTER
Methyl 2-iodo-3-nitrobenzoate
2-iodo-3-nitro-benzoic acid methyl ester
2-Jod-3-nitro-benzoesaeure-methylester
methyl 3-nitro-2-iodobenzoate
Benzoic acid, 2-iodo-3-nitro-, methyl ester
NSC98959
METHYL2-IODO-3-NITROBENZOATE
PubChem22604
CMCWXWQXFLAUFM-UHFFFAOYSA-N
methyl 2-iodanyl-3-nitro-benzoate
TRA0044479
OR22137
FCH1322034
SY019930
2-Iodo-3-nitrobenzoic acid methyl ester
NSC 98959
DB-023156
MFCD00114906
AS-31133
NSC-98959
AC-23869
BENZOIC ACID,2-IODO-3-NITRO-, METHYL ESTER
SCHEMBL431500
AKOS015955205
93415-79-3
methyl 2-iodo-3-nitrobenzoate
CS-0105549
DTXSID40294961

MDL Number

MFCD00114906

Customs Code

2916399090

FAQ

What regulatory guidelines apply to Methyl 2-iodo-3-nitrobenzoate (CAS: 93415-79-3)?

Methyl 2-iodo-3-nitrobenzoate (CAS: 93415-79-3) should comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous communication. In the European Union, it is regulated under the REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) legislation. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) have specific requirements for handling and disposing of this compound due to its hazardous nature. Compliance with these regulations is essential to ensure safety and legal adherence.

Are there alternatives to Methyl 2-iodo-3-nitrobenzoate (CAS: 93415-79-3) in synthesis?

There are several alternatives to Methyl 2-iodo-3-nitrobenzoate (CAS: 93415-79-3) that can be used in synthesis, depending on the specific reaction requirements. For example, Methyl 2-bromo-3-nitrobenzoate or Methyl 2-chloro-3-nitrobenzoate can be used as isomers. Other alternatives include using different nitrobenzoic acid derivatives or other functionalized benzoic acids that can provide similar substituents without the iodine group. These alternatives can offer safer handling and potentially milder reaction conditions.

What is the market or research trend for Methyl 2-iodo-3-nitrobenzoate (CAS: 93415-79-3)?

The market for Methyl 2-iodo-3-nitrobenzoate (CAS: 93415-79-3) is currently niche, with increasing research interest in its use as an intermediate in various synthetic pathways, particularly in the pharmaceutical and agrochemical industries. Research trends are focusing on developing more efficient and environmentally friendly synthesis methods. The demand is expected to grow as new applications are discovered, but the availability and price may fluctuate due to the compound's hazardous nature and the need for specialized handling and disposal.

How should waste containing Methyl 2-iodo-3-nitrobenzoate (CAS: 93415-79-3) be handled?

Waste containing Methyl 2-iodo-3-nitrobenzoate (CAS: 93415-79-3) should be collected and disposed of in accordance with local and international regulations. It is often recommended to store waste in sealed containers and ensure proper labeling. The waste should be disposed of through a professional hazardous waste disposal service to ensure proper incineration or other environmentally safe methods. Safety precautions should be taken to prevent spills and ensure the waste is handled under controlled conditions to minimize environmental impact.