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CAS Number: 43036-06-2
3-(1H-pyrrol-1-yl)propanenitrile

Structure

3-(1H-pyrrol-1-yl)propanenitrile
Name: 3-(1H-pyrrol-1-yl)propanenitrile
Synonyms:
General Information
Product Number: 43036062

CAS Registry Number: 43036-06-2

Name:

1H-​Pyrrole-​1-​propanenitrile
Pyrrole-​1-​propionitrile (6CI,​7CI); 1-​(2-​Cyanoethyl)​pyrrole; 3-​(1-​Pyrrolyl)​propionitrile; N-​(2-​Cyanoethyl)​pyrrole; NSC 78437 

Deleted CAS Registry Numbers: 115112-​00-​0

 

Chemical Formula: C7H8N2
Exact Mass: 120.07
Molecular Weight: 120.15
m/z: 120.07 (100.0%), 121.07 (8.3%)
Elemental Analysis: C, 69.97; H, 6.71; N, 23.32

 

InChI: InChI=1S/C7H8N2/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3,7H2
InChIKey: IYOLJLGYJMJLSU-UHFFFAOYSA-N
Canonical SMILES : C1=CN(C=C1)CCC#N

 

Thermal Properties Value Condition Note
Boiling Point 150-155 °C Press: 18 Torr (1)CAS
Boiling Point 95 °C Press: 0.2 Torr (2)IC
Boiling Point 93-94 °C Press: 0.5 Torr (3)IC
Boiling Point 90-96 °C Press: 0.4 Torr (4)CAS
Boiling Point 86 °C Press: 0.25 Torr (5)CAS

Specification

98%

References
  1. (1) Roh, Nikolaus; DE 641597 1937 CAPLUS
  2. (2) Schnekenburger, Joerg; Archiv der Pharmazie (Weinheim, Germany) 1977, V310(2), P152-60 CAPLUS
  3. (3) Wang, Nam-Chiang; Canadian Journal of Chemistry 1977, V55(23), P4112-16 CAPLUS
  4. (4) Herz, Werner; Journal of Organic Chemistry 1956, V21, P896-8 CAPLUS
  5. (5) Carelli, Vincenzo; Annali di Chimica (Rome, Italy) 1963, V53, P309-24 CAPLUS
  6. (6) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  7. (7) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  8. (8) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  9. (9) Taylor, James E.; Organic Letters 2010, V12(24), P5740-5743 CAPLUS
  10. (10) Shen, Yanfei; Colloids and Surfaces, A: Physicochemical and Engineering Aspects 2005, V257-258, P149-154 CAPLUS
  11. (11) 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.
  12. (12) Le, Zhang-Gao; Synthesis 2004, (12), P1951-1954 CAPLUS
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