108421
Methyl cyanoacetate
99%
Synonym(s):
Methyl 2-cyanoacetate
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About This Item
Linear Formula:
NCCH2COOCH3
CAS Number:
Molecular Weight:
99.09
Beilstein:
773945
EC Number:
MDL number:
UNSPSC Code:
12352100
eCl@ss:
39031513
PubChem Substance ID:
NACRES:
NA.22
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vapor density
3.41 (vs air)
Quality Level
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
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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[1]. It undergoes calcite or fluorite catalyzed Knövenagel condensation with aromatic aldehydes, giving the corresponding arylidenemalononitriles and (E)-α-cyanocinnamic esters[2].
Application
Methyl cyanoacetate may be used in the synthesis of various 1,2,5-tricarbonyl compounds[3].
Signal Word
Warning
Hazard Statements
Precautionary Statements
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
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