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2,8-Dibromo-6,12-dihydro-6,6,12,12-tetraoctyl-indeno[1,2-b]fluorene - 95%, high purity , CAS No.264281-45-0
Basic Description
Synonyms
HDXRVXNYEDMCJJ-UHFFFAOYSA-N | 2,8-DIBROMO-6,6,12,12-TETRAOCTYLINDENO[1,2-B]FLUORENE | SCHEMBL5021736 | F75317 | DTXSID10729639 | 2,8-Dibromo-6,12-dihydro-6,6,12,12-tetraoctyl-indeno[1,2-b]fluorene | 2,8-Dibromo-6,6,12,12-tetraoctyl-6,12-dihydroindeno[1,2-
Specifications & Purity
≥95%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Fluorenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Fluorenes
Alternative Parents
Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Fluorene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
488201936
IUPAC Name
2,8-dibromo-6,6,12,12-tetraoctylindeno[1,2-b]fluorene
INCHI
InChI=1S/C52H76Br2/c1-5-9-13-17-21-25-33-51(34-26-22-18-14-10-6-2)47-37-41(53)29-31-43(47)45-40-50-46(39-49(45)51)44-32-30-42(54)38-48(44)52(50,35-27-23-19-15-11-7-3)36-28-24-20-16-12-8-4/h29-32,37-40H,5-28,33-36H2,1-4H3
InChIKey
HDXRVXNYEDMCJJ-UHFFFAOYSA-N
Smiles
CCCCCCCCC1(C2=CC3=C(C=C2C4=C1C=C(C=C4)Br)C(C5=C3C=CC(=C5)Br)(CCCCCCCC)CCCCCCCC)CCCCCCCC
Isomeric SMILES
CCCCCCCCC1(C2=CC3=C(C=C2C4=C1C=C(C=C4)Br)C(C5=C3C=CC(=C5)Br)(CCCCCCCC)CCCCCCCC)CCCCCCCC
Molecular Weight
861
Reaxy-Rn
10053080
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10053080&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Melt Point(°C)
84-88℃
Molecular Weight
861.000 g/mol
XLogP3
23.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
28
Exact Mass
860.429 Da
Monoisotopic Mass
858.431 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
54
Formal Charge
0
Complexity
879.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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F2315021