1-Benzofuran-3-ylacetonitrile

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1-Benzofuran-3-ylacetonitrile Basic information
Product Name:1-Benzofuran-3-ylacetonitrile
Synonyms:Benzobüfuran-3-acetonitrile, 99%;2-(benzofuran-3-yl)acetonitrile;3-BENZO[B]FURYLACETONITRILE;BENZO[B]FURAN-3-ACETONITRILE;BENZOFURAN-3-ACETONITRILE;2-(3-Benzofuranyl)acetonitrile;3-cyanomethylbenzo[b]furan;3-Benzofuranacetonitrile
CAS:52407-43-9
MF:C10H7NO
MW:157.17
EINECS:
Product Categories:Benzofurans;Building Blocks;Heterocyclic Building Blocks;Furan&Benzofuran
Mol File:52407-43-9.mol
1-Benzofuran-3-ylacetonitrile Structure
1-Benzofuran-3-ylacetonitrile Chemical Properties
Melting point 38-42 °C(lit.)
Boiling point 120 °C0.5 mm Hg(lit.)
density 1.185±0.06 g/cm3(Predicted)
Fp >230 °F
storage temp. Store at room temperature
form solid
AppearanceOff-white to yellow Solid
Water Solubility Insoluble in water.
BRN 1282785
InChI1S/C10H7NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5H2
InChIKeyBJAJKVZABJZXDC-UHFFFAOYSA-N
SMILESN#CCc1coc2ccccc12
CAS DataBase Reference52407-43-9(CAS DataBase Reference)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 22-36-36/37/38-20/21/22
Safety Statements 26-36-36/37/39-22
RIDADR 3276
WGK Germany 3
HazardClass 6.1
PackingGroup III
Storage Class11 - Combustible Solids
Hazard ClassificationsAcute Tox. 4 Oral
Eye Irrit. 2
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
1-Benzofuran-3-ylacetonitrile Usage And Synthesis
Chemical Propertieswhite to light yellow crystal powde
UsesBenzo[b]furan-3-acetonitrile is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.
Synthesis1-Benzofuran-3-ylacetonitrile has been reported in the literature that it can be prepared from diethyl cyanomethyl phosphate and 3-coumaranone in a one-step reaction.
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