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CAS Number: 72016-73-0
5-amino-1-naphthonitrile

Structure

5-amino-1-naphthonitrile
Name: 5-amino-1-naphthonitrile
Synonyms:
General Information
Product Number: 72016730
CAS Registry Number:
72016-73-0
Name:
1-​Naphthalenecarbonitr​ile, 5-​amino-
1-​Aminonaphthalene-​5-​carbonitrile; 5-​Amino-​1-​naphthonitrile; 5-​Aminonaphthalene-​1-​carbonitrile 
 
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/c12-7-8-3-1-5-10-9(8)4-2-6-11(10)13/h1-6H,13H2
InChIKey: COMBRYCXLDMDCU-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C2C=CC=C(C2=C1)N)C#N
 
Thermal Properties Value Condition Note
Boiling Point 187-193 °C Press: 2-3 Torr (1)CAS
Melting Point 140 °C   (1)CAS
Melting Point 139.5-140 °C   (4)CAS
Melting Point 139-140 °C   (5)IC

Specification

98%

References
  1. (1) Gray, G. W.; Journal of the Chemical Society 1954, P678-83 CAPLUS
  2. (2) Schuster, Ingeborg I.; Magnetic Resonance in Chemistry 1996, V34(4), P301-10 CAPLUS
  3. (3) Yang, Youjun; Journal of the American Chemical Society 2010, V132(38), P13114-13116 CAPLUS
  4. (4) Cason, James; Journal of the American Chemical Society 1941, V63, P828-32 CAPLUS
  5. (5) Hagen, Helmut; DE 3837926 A1 1990 CAPLUS
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