370460
Diethoxyacetonitrile
97%
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About This Item
Linear Formula:
(C2H5O)2CHCN
CAS Number:
Molecular Weight:
129.16
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
228-111-1
MDL number:
eCl@ss:
38060101
Assay:
97%
Form:
liquid
Quality Segment
assay
97%
form
liquid
refractive index
n
bp
167.7 °C/773 mmHg (lit.)
mp
−19-−18 °C (lit.)
density
0.929 g/mL at 25 °C (lit.)
functional group
ether, nitrile
SMILES string
CCOC(OCC)C#N
InChI
1S/C6H11NO2/c1-3-8-6(5-7)9-4-2/h6H,3-4H2,1-2H3
InChI key
UDELMRIGXNCYLU-UHFFFAOYSA-N
General description
Diethoxyacetonitrile is a 2,2-dialkoxyalkanenitrile derivative. Reaction of hydrocyanic acid with various ortho esters of aliphatic and aromatic acids in the presence of acidic catalyst has been reported to afford diethoxyacetonitrile. Houben-Hoesch reaction of diethoxyacetonitrile with 1,2,4-trimethoxybenzene affords tris(2,4,5-trimethoxyphenyl)methane.
Application
Diethoxyacetonitrile may be used in the preparation of methyl 5-diethoxymethylimidazole-4-carboxylate, via anionic cycloaddition reaction with methyl isocyanoacetate.
Signal Word
Warning
Storage Class
3 - Flammable liquids
Flash Point (°F)
120.2 °F - closed cup
Flash Point (°C)
49 °C - closed cup
PPE (personal protective equipment)
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Flam. Liq. 3
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