108421

Methyl cyanoacetate

99%

• Synonym(s): Methyl 2-cyanoacetate
• Linear Formula: NCCH₂COOCH₃
• CAS Number: 105-34-0
• Molecular Weight: 99.09
• Beilstein: 773945
• EC Number: 203-288-8
• MDL number: MFCD00001939
• UNSPSC Code: 12352100
• eCl@ss: 39031513
• PubChem Substance ID: 24846667
• NACRES: NA.22

Properties

• vapor density: 3.41 (vs air)
• vapor pressure: 0.2 mmHg ( 20 °C)
• Assay: 99%
• refractive index: n20/D 1.417 (lit.)
• bp: 204-207 °C (lit.)
• mp: −13 °C (lit.)
• density: 1.123 g/mL at 25 °C (lit.)
• SMILES string: COC(=O)CC#N
• InChI: 1S/C4H5NO2/c1-7-4(6)2-3-5/h2H2,1H3
• InChI key: ANGDWNBGPBMQHW-UHFFFAOYSA-N

Description

General description

Methyl cyanoacetate is the intermediate product in pharmaceutical organic synthesis as well as in the synthesis of some biologically active compounds used in agriculture. It undergoes calcite or fluorite catalyzed Knövenagel condensation with aromatic aldehydes, giving the corresponding arylidenemalononitriles and (E)-α-cyanocinnamic esters.

Application

Methyl cyanoacetate may be used in the synthesis of various 1,2,5-tricarbonyl compounds.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H319
• Precautionary Statements: P264 - P280 - P305 + P351 + P338 - P337 + P313
• Hazard Classifications: Eye Irrit. 2
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 1
• Flash Point(F): 230.0 °F - closed cup
• Flash Point(C): 110 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves