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CAS Number: 34846-64-5
quinoline-3-carbonitrile

Structure

quinoline-3-carbonitrile
Name: quinoline-3-carbonitrile
Synonyms:
General Information
Product Number: 34846645

CAS Registry Number 34846-64-5
Name:
3-​Quinolinecarbonitril​e
3-Cyanoquinoline
NSC 44644

 

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/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H

InChI Key:QZZYYBQGTSGDPP-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 108-110 °C   (11)SRC
Melting Point 108-109 °C Solv: methanol (67-56-1) (12)IC
Melting Point 108 °C   (13)CAS
Melting Point 106-108 °C Solv: ethyl ether (60-29-7) (14)IC
Melting Point 106-107 °C   (15)CAS
Melting Point 105-107 °C Solv: ethanol (64-17-5) (16)CAS
Melting Point 104-106 °C   (17)CAS

Specification

98%

References
  1. (11) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  2. (12) Tanaka, Mamoru; Chemical & Pharmaceutical Bulletin 1978, V26(5), P1558-69 CAPLUS
  3. (13) Koller, Georg; Monatshefte fuer Chemie 1929, V52, P59-67 CAPLUS
  4. (14) Hamana, Masatomo; Chemical & Pharmaceutical Bulletin 1978, V26(12), P3856-62 CAPLUS
  5. (15) Fuson, Reynold C.; Journal of the American Chemical Society 1957, V79, P3477-80 CAPLUS
  6. (16) Zymalkowski, Felix; Justus Liebigs Annalen der Chemie 1966, V699, P98-106 CAPLUS
  7. (17) O'Dell, David K.; Journal of Organic Chemistry 2003, V68(16), P6427-6430 CAPLUS
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