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CAS Number: 3029-30-9
naphthalene-1,4-dicarbonitrile

Structure

naphthalene-1,4-dicarbonitrile
Name: naphthalene-1,4-dicarbonitrile
Synonyms:
General Information
Product Number: 3029309

CAS Registry Number 3029-30-9
Name:
1,​4-​Naphthalenedicarboni​trile
1,4-Dicyanonaphthalene
NSC 128542

 

Chemical Formula: C12H6N2
Exact Mass: 178.05
Molecular Weight: 178.19
m/z: 178.05 (100.0%), 179.06 (13.0%)

 

InChI:InChI=1S/C12H6N2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-6H

InChI Key:BENSWQOUPJQWMU-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=CC=C(C2=C1)C#N)C#N

 

Thermal Properties Value Condition Note
Melting Point 211 °C   (5)CAS
Melting Point 211 °C   (6)IC
Melting Point 210 °C Solv: ethanol (64-17-5) (7)CAS
Melting Point 209 °C Solv: acetic acid (64-19-7) (7)CAS
Melting Point 208 °C   (2)IC
Melting Point 208 °C   (7)CAS

Specification

98%

References
  1. (2) Novi, M.; Tetrahedron 1990, V46(6), P2205-12 CAPLUS
  2. (5) Lock, Gunther; Chemische Berichte 1951, V84, P636-41 CAPLUS
  3. (6) Heiss, Lorenz; Liebigs Annalen der Chemie 1980, (10), P1583-96 CAPLUS
  4. (7) Lock, G.; Monatshefte fuer Chemie 1952, V83, P865-9 CAPLUS
  5. (8) Scholl, Roland; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1922, V55B, P118-26 CAPLUS
  6. (9) Ugi, Ivar; DE 1158500 1963 CAPLUS
  7. (10) Ugi, Ivar; FR 1384210 1965 CAPLUS
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