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CAS Number: 85554-24-1
9H-xanthene-9-carbonitrile

Structure

 9H-xanthene-9-carbonitrile
Name: 9H-xanthene-9-carbonitrile
Synonyms:
General Information
Product Number: 85554241

CAS Registry Number 85554-24-1
Name:
9H-?Xanthene-?9-?carbonitrile
Xanthene-9-carbonitrile (6CI,7CI)
9-Cyanoxanthene

 

Chemical Formula: C14H9NO
Exact Mass: 207.07
Molecular Weight: 207.23
m/z: 207.07 (100.0%), 208.07 (15.7%), 209.08 (1.1%)

 

InChI:InChI=1S/C14H9NO/c15-9-12-10-5-1-3-7-13(10)16-14-8-4-2-6-11(12)14/h1-8,12H

InChI Key:ATOQLGNDBZUHKM-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C#N

 

Thermal Properties Value Condition Note
Melting Point 99-101 °C Solv: benzene (71-43-2) (1)CAS
Melting Point 97-98 °C   (2)CAS

Specification

98%
References
  1. (1) Kasztreiner, Endre; Acta Chimica Academiae Scientiarum Hungaricae 1962, V32, P473-7 CAPLUS
  2. (2) Baltzly, Richard; US 2956063 1960 CAPLUS
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