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362360

Sigma-Aldrich

3-Methoxyacrylonitrile, mixture of isomers

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About This Item

Linear Formula:
CH3OCH=CHCN
CAS Number:
60838-50-8
Molecular Weight:
83.09
MDL number:
MFCD00044798
UNSPSC Code:
12352100
PubChem Substance ID:
24862305
NACRES:
NA.22

form

liquid

refractive index

n20/D 1.455 (lit.)

density

0.99 g/mL at 25 °C (lit.)

SMILES string

COC=CC#N

InChI

1S/C4H5NO/c1-6-4-2-3-5/h2,4H,1H3

InChI key

IPCRTSDORDQHRO-UHFFFAOYSA-N

Application

3-Methoxyacrylonitrile may be used in the synthesis of 5-amino-1-hydroxyethylpyrazole, an intermediate of cefoselis sulfate. It may be used in the synthesis of 3-aminoacrylonitrile, an important intermediate for the synthesis of biologically active substances.2

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

168.8 °F - closed cup

Flash Point(C)

76 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Synthesis of 5-Amino-1-hydroxyethylpyrazole.
Zhon Y and Wu B.
Chinese Journal of Pharmaceuticals / Chung-kuo i yao kung yeh tsa chih, 34(9), 431-432 (2003)

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