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CAS Number: 35509-27-4
quinoline-8-carbonitrile

Structure

quinoline-8-carbonitrile
Name: quinoline-8-carbonitrile
Synonyms:
General Information
Product Number: 35509274

CAS Registry Number 35509-27-4
Name:
8-?Quinolinecarbonitril?e
8-Cyanoquinoline

 

Chemical Formula: C10H6N2
Exact Mass: 154.05
Molecular Weight: 154.17
m/z: 154.05 (100.0%), 155.06 (10.9%)

 

InChI:InChI=1S/C10H6N2/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h1-6H

InChI Key:CIIFKVFOVFJZDM-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C2C(=C1)C=CC=N2)C#N

 

Thermal Properties Value Condition Note
Melting Point 87.5-88.3 °C   (5)CAS
Melting Point 87.5-88.3 °C   (6)CAS
Melting Point 86-88 °C Solv: ethyl acetate (141-78-6); hexane (110-54-3) (1)CAS
Melting Point 84 °C   (7)IC
Melting Point 83-83.5 °C   (4)IC
Melting Point 82-83.5 °C   (8)CAS
Melting Point 82-83 °C   (9)CAS

Specification

98%

References
  1. (1) Lord, Anna-Marie; Journal of Medicinal Chemistry 2009, V52(3), P868-877 CAPLUS
  2. (4) Takagi, Kentaro; Bulletin of the Chemical Society of Japan 1991, V64(4), P1118-21 CAPLUS
  3. (5) Anderson, Benjamin A.; Journal of Organic Chemistry 1998, V63(23), P8224-8228 CAPLUS
  4. (6) Krapcho, A. Paul; Science of Synthesis 2006, V8b, P925-1010 CAPLUS
  5. (7) Wagner, G.; Pharmazie 1976, V31(3), P145-8 CAPLUS
  6. (8) Fieser, Louis F.; Journal of the American Chemical Society 1940, V62, P1640-5 CAPLUS
  7. (9) Henze, Henry R.; US 2526232 1950 CAPLUS
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