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2,7-Dibromo-9,9-di-p-tolyl-9H-fluorene - >98%(HPLC), high purity , CAS No.357645-37-5
Basic Description
Synonyms
357645-37-5 | 2,7-DIBROMO-9,9-BIS(4-METHYLPHENYL)-9H-FLUORENE | 2,7-Dibromo-9,9-di-p-tolyl-9H-fluorene | 2,7-dibromo-9,9-bis(4-methylphenyl)fluorene | SCHEMBL13567251 | DTXSID70694738 | SB66705 | CS-0435317 | FT-0746258
Specifications & Purity
≥98%(HPLC)
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Brominated biphenyls
Direct Parent
Polybrominated biphenyls
Alternative Parents
Fluorenes Toluenes Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Polybrominated biphenyl - Fluorene - Toluene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as polybrominated biphenyls. These are organic aromatic compounds containing a biphenyl moiety, which is substituted at two or more ring positions by a bromine atom.
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
IUPAC Name
2,7-dibromo-9,9-bis(4-methylphenyl)fluorene
INCHI
InChI=1S/C27H20Br2/c1-17-3-7-19(8-4-17)27(20-9-5-18(2)6-10-20)25-15-21(28)11-13-23(25)24-14-12-22(29)16-26(24)27/h3-16H,1-2H3
InChIKey
HPFNUQVVMXXYOV-UHFFFAOYSA-N
Smiles
CC1=CC=C(C=C1)C2(C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4)Br)C5=CC=C(C=C5)C
Isomeric SMILES
CC1=CC=C(C=C1)C2(C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4)Br)C5=CC=C(C=C5)C
Reaxy-Rn
8866710
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8866710&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
504.300 g/mol
XLogP3
8.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
2
Exact Mass
503.991 Da
Monoisotopic Mass
501.993 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
507.000
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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