Methyl 2-(2-nitrobenzylidene)-3-oxobutanoate

Basic Information

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CAS Number

39562-27-1

Molecular Formula

C12H11NO5

Molecular Weight

249.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

100-101 ºC (ethanol )

SMILES

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CC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C12H11NO5/c1-8(14)10(12(15)18-2)7-9-5-3-4-6-11(9)13(16)17/h3-7H,1-2H3

InChIKey

APKKCRAKPMSAEI-UHFFFAOYSA-N

LogP

2.26340

Complexity

382

Synonyms & References

English

111304-29-1
SR-01000197290-1
Methyl 2-(o-nitrobenzylidene)acetoacetate
methyl 2-(2-nitrobenzylidene)-3-oxobutanoate
CT1ZDT0OJI
MFCD00551860
A824620
methyl (2E)-2-[(2-nitrophenyl)methylidene]-3-oxobutanoate
Methyl (E)-2-(2-nitrobenzylidene)-3-oxobutanoate
(E)-methyl 2-(2-nitrobenzylidene)-3-oxobutanoate
2-(2-Nitrobenzylidene)-3-oxobutanoic Acid, Methyl Ester
Butanoic acid, 2-((2-nitrophenyl)methylene)-3-oxo-, methyl ester, (E)-
AKOS001030199
UNII-CT1ZDT0OJI
SR-01000197290
Methyl 2-(o-nitrobenzylidene)-acetoacetate
SCHEMBL3131439
EC 400-650-9
Butanoic acid, 2-((2-nitrophenyl)methylene)-3-oxo-, methyl ester
Methyl 2-(2-nitrobenzylidene)acetoacetate
39562-27-1
Butanoic acid,2-[(2-nitrophenyl)methylene]-3-oxo-, methyl ester
METHYL 2-(O-NITROBENZYLIDENE)-ACETOACETATE
2-Nitrobenzylidenacetessigsaeuremethylester
2-NITROBENZYLIDENEMETHYLESTER
2-Nitrobenzylidenmethylester
methyl (Z)-2-(2-nitrosobenzylidene)-3-oxobutanoate

MDL Number

MFCD00551860

Customs Code

2918300090

FAQ

What regulatory guidelines apply to Methyl 2-(2-nitrobenzylidene)-3-oxobutanoate (CAS: 39562-27-1)?

Methyl 2-(2-nitrobenzylidene)-3-oxobutanoate (CAS: 39562-27-1) may be subject to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the EU, and FDA and EPA guidelines for handling and disposal in the US. Specific safety data sheets (SDS) and regulatory compliance should be consulted for detailed information.

Are there alternatives to Methyl 2-(2-nitrobenzylidene)-3-oxobutanoate (CAS: 39562-27-1) in synthesis?

Alternatives to Methyl 2-(2-nitrobenzylidene)-3-oxobutanoate (CAS: 39562-27-1) in synthesis include similar compounds such as methyl 2-(2-chlorobenzylidene)-3-oxobutanoate or methyl 2-(2-methylbenzylidene)-3-oxobutanoate, depending on the specific reaction requirements. These alternatives may offer similar functional groups for different applications.

What is the market or research trend for Methyl 2-(2-nitrobenzylidene)-3-oxobutanoate (CAS: 39562-27-1)?

The market for Methyl 2-(2-nitrobenzylidene)-3-oxobutanoate (CAS: 39562-27-1) is currently stable due to its use in organic synthesis and pharmaceutical applications. Research trends are focusing on its use in developing new chemical compounds and materials, with a growing interest in green chemistry and sustainable synthesis methods.

How should waste containing Methyl 2-(2-nitrobenzylidene)-3-oxobutanoate (CAS: 39562-27-1) be handled?

Waste containing Methyl 2-(2-nitrobenzylidene)-3-oxobutanoate (CAS: 39562-27-1) should be collected in appropriate containers and stored in a well-ventilated area. Professional waste disposal services should be used for incineration or other suitable methods. Environmental protection measures include ensuring containment to prevent spillage and proper labeling for hazardous waste.