Methyl isocyanoacetate

Basic Information

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CAS Number

39687-95-1

Molecular Formula

C4H5NO2

Molecular Weight

99.09 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

Basic Chemical Raw Materials Organic Chemicals Nitriles

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

No data available

Boiling Point

75-76 °C/10 mmHg

Water Solubility

Miscible with organic solvents. Slightly miscible with water.

Refractive Index

n20/D 1.417(lit.)

Vapor Pressure

No data available

SMILES

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COC(=O)C[N+]#[C-]

InChI

InChI=1S/C4H5NO2/c1-5-3-4(6)7-2/h3H2,2H3

InChIKey

CRXFROMHHBMNAB-UHFFFAOYSA-N

LogP

-0.69060

Complexity

110

Safety Information

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Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

AKOS015950609
M2549
MFCD00000006
GS-0284
39687-95-1
Isocyano-acetic acid methyl ester
methyl alpha-isocyanoacetate
methyl-isocyanoacetate
methyl isocyano-acetate
GEO-03019
EN300-50659
Methyl 2-isocyanoacetate
FT-0639566
InChI=1/C4H5NO2/c1-5-3-4(6)7-2/h3H2,2H
methylisocyanoacetate
Methyl isocyanoacetate
NS00057701
A848819
Isocyanoacetic acid methyl ester
Methyl isocyanoacetate, technical grade
(2-Oxo-2-methoxyethyl) isocyanide
2-Isocyanoacetic acid methyl ester
2-Oxo-2-methoxyethyl isocyanide
Acetic acid, 2-isocyano-, Methyl ester
Methyl Isocyanoaceta
Isocyanoacetic Acid Methyl Ester
Aceticacid, isocyano-, methyl ester (9CI)
Methyl a-isocyanoacetate
Methylisocyanoacetate
Methyl isocyanoacetate, 95%, tech.
Acetic acid,2-isocyano-, methyl ester

MDL Number

MFCD00000006

Customs Code

2926909090

FAQ

What regulatory guidelines apply to Methyl isocyanoacetate (CAS: 39687-95-1)?

Methyl isocyanoacetate (CAS: 39687-95-1) is classified as a hazardous chemical under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). It is regulated under the European Union's Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) regulations, as well as by the Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) in the U.S. for safety and environmental protection.

Are there alternatives to Methyl isocyanoacetate (CAS: 39687-95-1) in synthesis?

There are several alternatives to Methyl isocyanoacetate (CAS: 39687-95-1) in synthesis, including other isocyanates such as phenyl isocyanate and methyl acetyl isocyanate. These can be used depending on the specific needs of the reaction and the desired product characteristics.

What is the market or research trend for Methyl isocyanoacetate (CAS: 39687-95-1)?

Research into Methyl isocyanoacetate (CAS: 39687-95-1) is focused on its applications in the synthesis of polymers and pharmaceuticals. Market trends show growing interest in developing more sustainable and environmentally friendly alternatives, driven by increasing regulatory pressures and consumer demand for green chemistry.

How should waste containing Methyl isocyanoacetate (CAS: 39687-95-1) be handled?

Waste containing Methyl isocyanoacetate (CAS: 39687-95-1) should be collected and disposed of according to the local regulations and guidelines for hazardous waste. It is recommended to incinerate the waste in a properly licensed facility or use a professional waste disposal service that adheres to environmental protection standards. Appropriate personal protective equipment and safety measures should be taken during handling to prevent exposure and environmental contamination.