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CAS Number: 36062-93-8
4-methyl-1-naphthonitrile

Structure

4-methyl-1-naphthonitrile
Name: 4-methyl-1-naphthonitrile
Synonyms:
General Information
Product Number: 36062938

CAS Registry Number 36062-93-8
Name:
1-​Naphthalenecarbonitr​ile, 4-​methyl-
1-Cyano-4-methylnaphthalene
4-Cyano-1-methylnaphthalene
4-Methyl-1-cyanonaphthalene
4-Methyl-1-naphthalenecarbonitrile
4-Methyl-1-naphthonitrile

 

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

InChI Key:XDIWTJZAYBYKHM-UHFFFAOYSA-N

Canonical SMILES:CC1=CC=C(C2=CC=CC=C12)C#N

 

Thermal Properties Value Condition Note
Boiling Point 210-220 °C Press: 40 Torr (1)CAS
Melting Point 193-194 °C   (2)IC
Melting Point 53-54 °C   (1)CAS
Melting Point 53-54 °C   (3)IC
Melting Point 51-52 °C Solv: ethanol (64-17-5) (4)IC

Specification

98%

References
  1. (1) Rule, H. Gordon; Journal of the Chemical Society 1950, P1816-19 CAPLUS
  2. (2) Yasuda, Masahide; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1981, (3), P746-50 CAPLUS
  3. (3) Lan, J. Y.; Journal of the American Chemical Society 1985, V107(23), P6710-11 CAPLUS
  4. (4) Gore, P. H.; Tetrahedron 1979, V35(24), P2927-9 CAPLUS
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