370460

Diethoxyacetonitrile

97%

• Linear Formula: (C₂H₅O)₂CHCN
• CAS Number: 6136-93-2
• Molecular Weight: 129.16
• EC Number: 228-111-1
• MDL number: MFCD00043982
• UNSPSC Code: 12352100
• PubChem Substance ID: 24863070
• NACRES: NA.22

Properties

• Assay: 97%
• form: liquid
• refractive index: n20/D 1.4 (lit.)
• 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

Description

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.

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Warning
• Hazard Statements: H226,H302 + H312 + H332
• Precautionary Statements: P210 - P233 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 120.2 °F - closed cup
• Flash Point(C): 49 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves