108421

Methyl cyanoacetate

99%

• Synonym(s): Methyl 2-cyanoacetate
• Linear Formula: NCCH₂COOCH₃
• CAS Number: 105-34-0
• Molecular Weight: 99.09
• Beilstein/REAXYS Number: 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)
• Quality Level: 200
• 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.)
• functional group: ester; nitrile
• 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
• signalword: Warning
• hcodes: H319
• pcodes: P264 - P280 - P305 + P351 + P338 - P337 + P313
• Hazard Classifications: Eye Irrit. 2
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 1
• flash_point_f: 230.0 °F - closed cup
• flash_point_c: 110 °C - closed cup
• ppe: Eyeshields, Gloves