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CAS Number: 14003-46-4
2-(quinolin-4-yl)acetonitrile

Structure

2-(quinolin-4-yl)acetonitrile
Name: 2-(quinolin-4-yl)acetonitrile
Synonyms:
General Information
Product Number: 14003464
CAS Registry Number: 14003-46-4
Name:
        4-​Quinolineacetonitril​e
        NSC 85366; Quinolin-​4-​ylacetonitrile
 
Chemical Formula: C11H8N2
Exact Mass: 168.07
Molecular Weight: 168.19
m/z: 168.07 (100.0%), 169.07 (12.6%)
Elemental Analysis: C, 78.55; H, 4.79; N, 16.66
 
InChI: InChI=1S/C11H8N2/c12-7-5-9-6-8-13-11-4-2-1-3-10(9)11/h1-4,6,8H,5H2
InChIKey: CKTDILDXLGTRNG-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C(=C1)C(=CC=N2)CC#N 
 
Thermal Properties Value Condition Note
Melting Point 146-147 °C Solv: water (7732-18-5); ethanol (64-17-5) (3)CAS
Melting Point 144-145 °C Solv: water (7732-18-5) (4)CAS

Specification

98%

References

  • (1) Carelli, Vincenzo; Annali di Chimica (Rome, Italy) 1960, V50, P698-703 CAPLUS
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  • (2) Zymalkowski, F.; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft 1957, V290, P218-24 CAPLUS
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