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CAS Number: 254755-24-3
2,2'-(9,9-dihexyl-9H-fluorene-2,7-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)

Structure

2,2'-(9,9-dihexyl-9H-fluorene-2,7-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
Name: 2,2'-(9,9-dihexyl-9H-fluorene-2,7-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
Synonyms:
General Information
Product Number: 254755243

CAS Registry Number: 254755-24-3

Name:

1,​3,​2-​Dioxaborolane, 2,​2'-​(9,​9-​dihexyl-​9H-​fluorene-​2,​7-​diyl)​bis[4,​4,​5,​5-​tetramethyl-
(9,​9-​Dihexylfluoren-​2,​7-​diyl)​bis(4,​4,​5,​5-​tetramethyl-​1,​3,​2-​dioxaborolane); 2,​7-​Bis(4,​4,​5,​5-​tetramethyl-​1,​3,​2-​dioxaborolan-​2-​yl)​-​9,​9-​dihexylfluorene; 2,​7-​Bis(4,​4,​5,​5-​tetrarnetlzyl-​1,​3,​2-​dioxaborolan-​2-​yl)​-​9,​9-​dihexylfluorene 

Deleted CAS Registry Numbers: 1342894-​99-​8

 

Chemical Formula: C37H56B2O4
Exact Mass: 586.44
Molecular Weight: 586.46
m/z: 586.44 (100.0%), 585.44 (41.4%), 587.44 (34.4%), 588.44 (7.2%), 584.44 (5.1%), 587.45 (3.4%), 585.45 (2.1%)
Elemental Analysis: C, 75.78; H, 9.62; B, 3.69; O, 10.91

 

InChI: InChI=1S/C37H56B2O4/c1-11-13-15-17-23-37(24-18-16-14-12-2)31-25-27(38-40-33(3,4)34(5,6)41-38)19-21-29(31)30-22-20-28(26-32(30)37)39-42-35(7,8)36(9,10)43-39/h19-22,25-26H,11-18,23-24H2,1-10H3
InChIKey: SYMMYBWUPCWTEI-UHFFFAOYSA-N
Canonical SMILES : B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(C3(CCCCCC)CCCCCC)C=C(C=C4)B5OC(C(O5)(C)C)(C)C

 

Thermal Properties Value Condition Note
Melting Point 186-189 °C Solv: acetone (67-64-1) (1)CAS

Specification

98%

References
  1. (1) Dudek, Stephen P.; Journal of the American Chemical Society 2005, V127(33), P11763-11768 CAPLUS
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