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CAS Number: 14727-71-0
pyrene-4,5,9,10-tetraone

Structure

pyrene-4,5,9,10-tetraone
Name: pyrene-4,5,9,10-tetraone
Synonyms:
General Information
Product Number: 14727710
CAS Registry Number:
14727-71-0
Name:
4,​5,​9,​10-​Pyrenetetrone
4,​5,​9,​10-​Pyrenediquinone; Pyrene-​4,​5,​9,​10-​tetraone 
 
Chemical Formula: C16H6O4
Exact Mass: 262.03
Molecular Weight: 262.22
m/z: 262.03 (100.0%), 263.03 (17.5%), 264.03 (2.3%)
Elemental Analysis: C, 73.29; H, 2.31; O, 24.41
 
InChI: InChI=1S/C16H6O4/c17-13-7-3-1-4-8-11(7)12-9(15(13)19)5-2-6-10(12)16(20)14(8)18/h1-6H
InChIKey: FQVOWPCGHLYSLB-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C3C(=C1)C(=O)C(=O)C4=CC=CC(=C43)C(=O)C2=O
 
Thermal Properties Value Condition Note
Melting Point >350 °C   (4)CAS
Melting Point >350 °C   (2)CAS

Specification

98%

References
  1. (1) Otsuka, Yu; WO 2011111401 A1 2011 CAPLUS
  2. (2) Tabatabaeian, K.; Catalysis Communications 2007, V9(3), P416-420 CAPLUS
  3. (3) Lee, Dong-Hoon; WO 2007004799 A1 2007 CAPLUS
  4. (4) Hu, Jie; Journal of Organic Chemistry 2005, V70(2), P707-708 CAPLUS
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