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CAS Number: 5101-26-8
1,1'-bipyrene

Structure

1,1'-bipyrene
Name: 1,1'-bipyrene
Synonyms:
General Information
Product Number: 5101268

CAS Registry Number 5101-26-8
Name:
1,​1'-​Bipyrene
3,3'-Bipyrene
3,3'-Bipyrenyl
3,3'-Dipyrenyl
NSC 106409

 

Chemical Formula: C32H18
Exact Mass: 402.14
Molecular Weight: 402.49
m/z: 402.14 (100.0%), 403.14 (34.6%), 404.15 (5.9%)

 

InChI:InChI=1S/C32H18/c1-3-19-7-9-23-11-15-25(27-17-13-21(5-1)29(19)31(23)27)26-16-12-24-10-8-20-4-2-6-22-14-18-28(26)32(24)30(20)22/h1-18H

InChI Key:HOMLMZXKKDLNSB-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5

 

Thermal Properties Value Condition Note
Melting Point 333 °C   (3)CAS
Melting Point 327-328 °C   (5)CAS
Melting Point 320 °C   (6)CAS

Specification

98%

References
  1. (3) Nefedov, V. A.; Russian Journal of Organic Chemistry 2007, V43(8), P1163-1166 CAPLUS
  2. (5) Ammerer, L.; Monatshefte fuer Chemie 1953, V84, P25-31 CAPLUS
  3. (6) Jensen, Arne; Acta Chemica Scandinavica 1965, V19(8), P1838-42 CAPLUS
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