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CAS Number: 3264-21-9
1-(pyren-1-yl)ethanone

Structure

1-(pyren-1-yl)ethanone
Name: 1-(pyren-1-yl)ethanone
Synonyms:
General Information
Product Number: 3264219

CAS Registry Number 3264-21-9
Name:
Ethanone, 1-​(1-​pyrenyl)​-
Ketone, methyl 1-pyrenyl (6CI,7CI,8CI)
1-Acetylpyrene
Methyl 1-pyrenyl ketone
NSC 62422

 

Chemical Formula: C18H12O
Exact Mass: 244.09
Molecular Weight: 244.29
m/z: 244.09 (100.0%), 245.09 (19.5%), 246.10 (1.8%)

 

InChI:InChI=1S/C18H12O/c1-11(19)15-9-7-14-6-5-12-3-2-4-13-8-10-16(15)18(14)17(12)13/h2-10H,1H3

InChI Key:KCIJNJVCFPSUBQ-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

 

Thermal Properties Value Condition Note
Melting Point 94 °C   (7)CAS
Melting Point 90 °C   (8)CAS
Melting Point 88-90 °C   (9)IC
Melting Point 87.5-90.0 °C Solv: methanol (67-56-1) (10)IC
Melting Point 87-90 °C   (5)IC
Melting Point 86-89 °C   (11)CAS
Melting Point 86-89 °C   (12)CAS
Melting Point 86-89 °C   (13)CAS
Melting Point 79-80 °C   (14)CAS

Specification

98%

References
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  2. (7) Dziewonski, K.; Roczniki Chemii 1937, V17, P101-4(in French 104) CAPLUS
  3. (8) Vollmann, Heinrich; Justus Liebigs Annalen der Chemie 1937, V531, P1-159 CAPLUS
  4. (9) Deck, Lorraine M.; Journal of Organic Chemistry 1983, V48(20), P3577-80 CAPLUS
  5. (10) Klassen, Sandra E.; Journal of Organic Chemistry 1983, V48(23), P4361-6 CAPLUS
  6. (11) Mishra, Anuradha; Journal of Macromolecular Science, Part A: Pure and Applied Chemistry 2006, V43(6), P955-966 CAPLUS
  7. (12) Mishra, Anuradha; Colloid and Polymer Science 2007, V285(4), P397-404 CAPLUS
  8. (13) Dikusar, E. A.; Russian Journal of Organic Chemistry 2007, V43(10), P1492-1494 CAPLUS
  9. (14) Bachmann, W. E.; Journal of the American Chemical Society 1941, V63, P2494-9 CAPLUS
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