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CAS Number: 52407-43-9
2-(benzofuran-3-yl)acetonitrile

Structure

2-(benzofuran-3-yl)acetonitrile
Name: 2-(benzofuran-3-yl)acetonitrile
Synonyms:
General Information
Product Number: 52407439

CAS Registry Number 52407-43-9
Name:
3-​Benzofuranacetonitri​le
(Benzofuran-3-yl)acetonitrile
3-(Cyanomethyl)benzo[b]furan
3-Cyanomethylbenzofuran

 

Chemical Formula: C10H7NO
Exact Mass: 157.05
Molecular Weight: 157.17
m/z: 157.05 (100.0%), 158.06 (10.9%)

 

InChI:InChI=1S/C10H7NO/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5H2

InChI Key:BJAJKVZABJZXDC-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=CO2)CC#N

 

Thermal Properties Value Condition Note
Boiling Point 120-122 °C Press: 4 Torr (1)IC
Boiling Point 110-120 °C Press: 0.7 Torr (2)IC
Boiling Point 110 °C Press: 0.7 Torr (3)IC
Boiling Point 96-100 °C Press: 0.075 Torr (4)IC
Boiling Point 96-100 °C Press: 0.075 Torr (5)IC
Melting Point 50 °C (sublm) Press: 0.08 Torr (6)IC

Specification

98%

References
  1. (1) Shafiee, A.; Journal of Heterocyclic Chemistry 1978, V15(3), P481-3 CAPLUS
  2. (2) Volante, Ralph P.; EP 251714 A2 1988 CAPLUS
  3. (3) Volante, Ralph P.; EP 251713 A2 1988 CAPLUS
  4. (4) Baldwin, John J.; US 4710504 A 1987 CAPLUS
  5. (5) Baldwin, John J.; US 4916223 A 1990 CAPLUS
  6. (6) Chan, James H. T.; Australian Journal of Chemistry 1975, V28(5), P1097-111 CAPLUS
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