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CAS Number: 100723-77-1
2,3,4,9-tetrahydro-1H-carbazole-6-carbonitrile

Structure

2,3,4,9-tetrahydro-1H-carbazole-6-carbonitrile
Name: 2,3,4,9-tetrahydro-1H-carbazole-6-carbonitrile
Synonyms:
General Information
Product Number: 100723771
CAS Registry Number: 100723-77-1
Name:
1H-​Carbazole-​6-​carbonitrile, 2,​3,​4,​9-​tetrahydro-
Carbazole-​3-​carbonitrile, 5,​6,​7,​8-​tetrahydro- (6CI); NSC 54766 
 
Chemical Formula: C13H12N2
Exact Mass: 196.10
Molecular Weight: 196.25
m/z: 196.10 (100.0%), 197.10 (14.8%)
Elemental Analysis: C, 79.56; H, 6.16; N, 14.27
 
InChI: InChI=1S/C13H12N2/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h5-7,15H,1-4H2
InChIKey: ZJZCODRVOUTZLA-UHFFFAOYSA-N
Canonical SMILES : C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C#N
 
Thermal Properties Value Condition Note
Melting Point 124.0-125.0 °C   (2)CAS
Melting Point 124.0-125.0 °C   (1)CAS
Melting Point 117-119 °C   (3)CAS

Specification

98%

References
  1. (1) Zhang, Zhi-Guang; Synthesis 2011, (1), P23-29 CAPLUS
  2. (2) Haag, Benjamin A.; Angewandte Chemie, International Edition 2010, V49(49), P9513-9516, S9513/1-S9513/52 CAPLUS
  3. (3) Shaw, E.; Journal of the American Chemical Society 1957, V79, P3561-4 CAPLUS
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