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CAS Number: 40689-22-3
5-methyl-1-naphthonitrile

Structure

5-methyl-1-naphthonitrile
Name: 5-methyl-1-naphthonitrile
Synonyms:
General Information
Product Number: 40689223

CAS Registry Number 40689-22-3
Name:
1-​Naphthalenecarbonitr​ile, 5-​methyl-
5-Cyano-1-methylnaphthalene
5-Methylnaphthalene-1-carbonitrile

 

Chemical Formula: C12H9N
Exact Mass: 167.07
Molecular Weight: 167.21
m/z: 167.07 (100.0%), 168.08 (13.1%)

 

InChI:InChI=1S/C12H9N/c1-9-4-2-7-12-10(8-13)5-3-6-11(9)12/h2-7H,1H3

InChI Key:KDQNAHYGYCEITL-UHFFFAOYSA-N

Canonical SMILES:CC1=CC=CC2=C(C=CC=C12)C#N

 

Thermal Properties Value Condition Note
Melting Point 92-93 °C   (1)CAS
Melting Point 91-92 °C   (2)CAS

Specification

98%

References
  1. (1) Haworth, R. D.; Journal of the Chemical Society 1932, P2720-3 CAPLUS
  2. (2) Kiprianov, A. I.; Zhurnal Organicheskoi Khimii 1966, V2(10), P1852-6 CAPLUS
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