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CAS Number: 3813-01-2
5-methoxy-1-naphthonitrile

Structure

5-methoxy-1-naphthonitrile
Name: 5-methoxy-1-naphthonitrile
Synonyms:
General Information
Product Number: 3813012

CAS Registry Number 3813-01-2
Name:
1-​Naphthalenecarbonitr​ile, 5-​methoxy-
1-Naphthonitrile, 5-methoxy- (7CI,8CI)
1-Cyano-5-methoxynaphthalene
5-Methoxynaphthalene-1-carbonitrile

 

Chemical Formula: C12H9NO
Exact Mass: 183.07
Molecular Weight: 183.21
m/z: 183.07 (100.0%), 184.07 (13.5%)

 

InChI:InChI=1S/C12H9NO/c1-14-12-7-3-5-10-9(8-13)4-2-6-11(10)12/h2-7H,1H3

InChI Key:IFDIAPORDJTSKP-UHFFFAOYSA-N

Canonical SMILES:COC1=CC=CC2=C(C=CC=C21)C#N

 

Thermal Properties Value Condition Note
Melting Point 90-91 °C   (2)CAS
Melting Point 87-89 °C   (3)CAS
Melting Point 87-89 °C   (4)CAS
Melting Point 87-89 °C   (5)CAS

Specification

98%

References
  1. (2) Legler, Guenter; Zeitschrift fuer Naturforschung 1965, V20b(7), P643-5 CAPLUS
  2. (3) Bolhofer, William A.; BE 624749 1963 CAPLUS
  3. (4) BE 651724 1965 CAPLUS
  4. (5) NL 6510882 1966 CAPLUS
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