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CAS Number: 5457-28-3
1H-indole-3-carbonitrile

Structure

1H-indole-3-carbonitrile
Name: 1H-indole-3-carbonitrile
Synonyms:
General Information
Product Number: 5457283

CAS Registry Number 5457-28-3
Name:
1H-?Indole-?3-?carbonitrile
Indole-3-carbonitrile (6CI,7CI,8CI)
3-Cyanoindole
NSC 24935

 

Chemical Formula: C9H6N2
Exact Mass: 142.05
Molecular Weight: 142.16
m/z: 142.05 (100.0%), 143.06 (9.8%)

 

InChI:InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H

InChI Key:CHIFTAQVXHNVRW-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=CN2)C#N

 

Thermal Properties Value Condition Note
Boiling Point See full text   (1)IC
Melting Point 188.5-190.5 °C   (11)CAS
Melting Point 183 °C   (8)CAS
Melting Point 179-182 °C   (9)CAS
Melting Point 179-182 °C   (12)SRC
Melting Point 178-180.5 °C   (13)CAS

Specification

98%

References
  1. (1) Sosnovsky, George; Synthesis 1979, (9), P722-4 CAPLUS
  2. (5) Reddy, B. V. Subba; Tetrahedron Letters 2010, V51(25), P3334-3336 CAPLUS
  3. (6) Lee, Ka Young; Bulletin of the Korean Chemical Society 2007, V28(2), P333-335 CAPLUS
  4. (8) Jaisankar, Pichamuthu; Synthesis 2006, (14), P2413-2417 CAPLUS
  5. (9) Ushijima, Sousuke; Synlett 2010, (7), P1067-1070 CAPLUS
  6. (11) Blatter, Herbert M.; Journal of the American Chemical Society 1961, V83, P2203 CAPLUS
  7. (12) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  8. (13) Majima, Riko; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1924, V57B, P1453-6 CAPLUS
  9. (14) Den Hertog, H. J.; Tetrahedron Letters 1967, (38), P3657-9 CAPLUS
  10. (15) Pschorr, R.; Berichte der Deutschen Chemischen Gesellschaft 1910, V43, P2543-52 CAPLUS
  11. (16) Liebscher, Juergen; Zeitschrift fuer Chemie 1975, V15(8), P302 CAPLUS
  12. (17) Tamura, Y.; Tetrahedron Letters 1977, (50), P4417-20 CAPLUS
  13. (18) Tamura, Yasumitsu; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1980, (5), P1132-5 CAPLUS
  14. (19) Dauzonne, Daniel; Synthesis 1981, (9), P739-40 CAPLUS
  15. (20) Liebscher, Juergen; Zeitschrift fuer Chemie 1983, V23(6), P214-15 CAPLUS
  16. (21) Capdevielle, Patrice; Synthesis 1989, (6), P451-2 CAPLUS
  17. (22) Mehta, Goverdhan; Synthesis 1978, (5), P374-6 CAPLUS
  18. (23) Smaliy, Radomir V.; Synthesis 2002, (16), P2416-2420 CAPLUS
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