Cyanomethyl acetate
CAS No.:
1001-55-4
M. Wt:
99.08800
M. Fa:
C4H5NO2
InChI Key:
AJEHNBIPLQJTNU-UHFFFAOYSA-N
Names and Identifiers of Cyanomethyl acetate
CAS Number |
1001-55-4 |
|---|---|
EC Number |
872-138-7 |
MDL Number |
MFCD00242714 |
IUPAC Name |
cyanomethyl acetate |
InChI |
InChI=1S/C4H5NO2/c1-4(6)7-3-2-5/h3H2,1H3 |
InChIKey |
AJEHNBIPLQJTNU-UHFFFAOYSA-N |
Canonical SMILES |
CC(=O)OCC#N |
UNII |
VM1DZ0X2D6 |
UNSPSC Code |
12352100 |
Physical and chemical properties of Cyanomethyl acetate
Boiling Point |
164ºC at 760 mmHg |
|---|---|
Density |
1.083g/cm3 |
Exact Mass |
99.03200 |
Flash Point |
61.7ºC |
H Bond Acceptors |
2 |
H Bond Donors |
0 |
Index of Refraction |
1.402 |
LogP |
0.07308 |
Melting Point |
-22.4°C |
Molecular Formula |
C4H5NO2 |
Molecular Weight |
99.08800 |
PSA |
50.09000 |
Vapour Pressure |
0.36 [mmHg] |
Safety Information of Cyanomethyl acetate
Applications of Cyanomethyl acetate
Cyanomethyl acetate serves multiple applications:
- Intermediate in Organic Synthesis: It is widely used in the synthesis of pharmaceuticals and agrochemicals due to its ability to form complex structures through various chemical transformations.
- Biochemical Research: The compound is utilized in proteomics research as a reagent for modifying proteins and studying enzyme activities.
- Synthetic Chemistry: It acts as a building block for synthesizing other functionalized compounds through various reactions.
Interaction Studies of Cyanomethyl acetate
Interaction studies involving cyanomethyl acetate primarily focus on its reactivity with biological molecules and its potential effects on metabolic pathways. While specific interaction data are scarce, the compound's electrophilic nature suggests it may form adducts with nucleophiles such as amino acids or nucleotides. This property could be leveraged for developing targeted therapeutic agents or probes in biochemical assays.
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