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CAS Number: 51072-83-4
2-methyl-1H-indole-3-carbonitrile

Structure

2-methyl-1H-indole-3-carbonitrile
Name: 2-methyl-1H-indole-3-carbonitrile
Synonyms:
General Information
Product Number: 51072834

CAS Registry Number 51072-83-4
Name:
1H-?Indole-?3-?carbonitrile, 2-?methyl-
3-Indolenitrile, 2-methyl- (3CI)
2-Methyl-1H-indole-3-carbonitrile
2-Methyl-3-indolecarbonitrile
3-Cyano-2-methylindole

 

Chemical Formula: C10H8N2
Exact Mass: 156.07
Molecular Weight: 156.18
m/z: 156.07 (100.0%), 157.07 (11.6%)

 

InChI:InChI=1S/C10H8N2/c1-7-9(6-11)8-4-2-3-5-10(8)12-7/h2-5,12H,1H3

InChI Key:ZFFATLKERBHVHQ-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C2=CC=CC=C2N1)C#N

 

Thermal Properties Value Condition Note
Melting Point 213 °C   (3)CAS
Melting Point 210-212 °C   (8)CAS
Melting Point 209-210 °C   (9)CAS
Melting Point 208-210 °C   (10)IC
Melting Point 204-206 °C   (11)IC
Melting Point 204-206 °C Solv: chloroform (67-66-3) (12)IC

Specification

98%

References
  1. (2) Yan, Guobing; Organic Letters 2010, V12(5), P1052-1055 CAPLUS
  2. (3) Li, Xiaoxun; Organic Letters 2009, V11(12), P2643-2646 CAPLUS
  3. (6) Jaisankar, Pichamuthu; Synthesis 2006, (14), P2413-2417 CAPLUS
  4. (8) Majima, Riko; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1924, V57B, P1453-6 CAPLUS
  5. (9) Seka, Reinhard; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1924, V57B, P1868-71 CAPLUS
  6. (10) Mehta, Goverdhan; Synthesis 1978, (5), P374-6 CAPLUS
  7. (11) Tamura, Y.; Tetrahedron Letters 1977, (50), P4417-20 CAPLUS
  8. (12) Tamura, Yasumitsu; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1980, (5), P1132-5 CAPLUS
  9. (13) Orlemans, E. O. M.; Tetrahedron 1987, V43(16), P3817-26 CAPLUS
  10. (14) Banini, Serge R.; Tetrahedron 2011, V67(20), P3603-3611 CAPLUS
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