362360

3-Methoxyacrylonitrile, mixture of isomers

• 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

Properties

• 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

Description

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

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H312 + H332,H315,H319,H335
• pcodes: P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• 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: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 168.8 °F - closed cup
• flash_point_c: 76 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter