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CAS Number: 3216-48-6
2-(benzo[b]thiophen-3-yl)acetonitrile

Structure

2-(benzo[b]thiophen-3-yl)acetonitrile
Name: 2-(benzo[b]thiophen-3-yl)acetonitrile
Synonyms:
General Information
Product Number: 3216486
CAS Number:
3216-48-6
Name:
Benzo[b]thiophene-3-acetonitrile
Formula:
C10H7NS
Molecular Weight:
173.2343
Synonyms:
Benzo[b]thiophen-3-yl-acetonitrile;
EINECS:
221-733-4
SMILES: N#CCc1csc2c1cccc2
InChI:   1S/C10H7NS/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5H2
InChIKey:   DEELHLMCCWZFFE-UHFFFAOYSA-N
 
Boiling Point 140-145 °C Press: 3 Torr (1)CAS
Boiling Point 138-140 °C Press: 2 Torr (2)CAS
Boiling Point 122-125 °C Press: 0.2 Torr (3)IC
Boiling Point 100 °C Press: 0.25 Torr (4)IC
Melting Point 67 °C   (4)IC
Melting Point 66-67 °C   (2)CAS
Melting Point 64-66 °C   (3)IC
Melting Point 60-65 °C   (1)CAS

Specification

98%

References
  1. (1) Jirkovsky, I.; Collection of Czechoslovak Chemical Communications 1963, V28(10), P2582-7 CAPLUS
  2. (2) Blicke, F. F.; Journal of the American Chemical Society 1948, V70, P3768-70 CAPLUS
  3. (3) Wolf, Gerhard; Archiv der Pharmazie (Weinheim, Germany) 1976, V309(4), P279-88 CAPLUS
  4. (4) Neidlein, R.; Archiv der Pharmazie (Weinheim, Germany) 1975, V308(7), P513-19 CAPLUS
  5. (5) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  6. (6) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  7. (7) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
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