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370460

Sigma-Aldrich

Diethoxyacetonitrile

97%

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About This Item

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

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.)

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.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H302 + H312 + H332

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

370460-1G:
370460-25G:4548173140940
370460-5G:4548173140957
370460-VAR:
370460-BULK:

Certificates of Analysis (COA)

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2, 2-Dialkoxyalkanenitriles.
Erickson JG.
Journal of the American Chemical Society, 73(3), 1338-1339 (1951)
An anomalous Houben-Hoesch reaction and some applications in arylation reactions.
Sanchez-Viesca F, et al.
Organic Prep. and Proc. Int., 36(2), 135-140 (2004)
An efficient synthesis of 5-diethoxymethylimidazole-4-carboxylate, a potential precursor for various imidazole derivatives.
Murakami T, et al.
Tetrahedron Letters, 23(45), 4729-4732 (1982)

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