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378615

Sigma-Aldrich

3,3-Diethoxypropionitrile

95%

Linear Formula:
(C2H5O)2CHCH2CN
CAS Number:
Molecular Weight:
143.18
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

95%

form

liquid

refractive index

n20/D 1.415 (lit.)

bp

91-93 °C/11 mmHg (lit.)

density

0.954 g/mL at 25 °C (lit.)

SMILES string

CCOC(CC#N)OCC

InChI

1S/C7H13NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-5H2,1-2H3

InChI key

WBOXEOCWOCJQNK-UHFFFAOYSA-N

Related Categories

General description

3,3-Diethoxypropionitrile is a cyanide derivative. It undergoes reaction with urea in refluxing butanolic sodium butoxide to afford 4-amino-2(1H)-pyrimidinone and cytosine. Its physical properties (density, refractive index, boiling point and melting point) have been reported.

Application

3,3-Diethoxypropionitrile may be used in the synthesis of 2-(2,2-diethoxy-ethyl)-pyridine, via [2+2+2]-cycloaddition reaction. It may be used in the synthesis of cyanomalondialdehyde.

Packaging

25 mL in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

183.2 °F - closed cup

Flash Point(C)

84 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

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Certificate of Origin

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