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4-Bromospiro[fluorene-9,9'-xanthene] - 98.0%, high purity , CAS No.1609484-45-8
Basic Description
Synonyms
4-Bromo-spiro[9H-fluorene-9,9'-[9H]xanthene] | SCHEMBL15713407 | Spiro[9H-fluorene-9,9'-[9H]xanthene], 4-bromo- | 4-bromospiro[fluorene-9,9'-xanthene] | Bromo-spiro[9H-fluorene-9,9'-[9H]xanthene] | 1609484-45-8 | OL10201 | 5-Bromospiro[fluorene-9,9'-xanth
Specifications & Purity
≥98%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Dibenzopyrans
Direct Parent
Xanthenes
Alternative Parents
Fluorenes Diarylethers Aryl bromides Oxacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthene - Fluorene - Diaryl ether - Benzenoid - Aryl halide - Aryl bromide - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
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
488202486
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488202486
IUPAC Name
4-bromospiro[fluorene-9,9'-xanthene]
INCHI
InChI=1S/C25H15BrO/c26-21-13-7-12-20-24(21)16-8-1-2-9-17(16)25(20)18-10-3-5-14-22(18)27-23-15-6-4-11-19(23)25/h1-15H
InChIKey
WQAGYCVGNQJYKT-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5OC6=CC=CC=C46)C=CC=C3Br
Isomeric SMILES
C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5OC6=CC=CC=C46)C=CC=C3Br
Molecular Weight
411.3
Reaxy-Rn
31781114
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31781114&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Toluene
Melt Point(°C)
180 °C
Molecular Weight
411.300 g/mol
XLogP3
7.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
410.031 Da
Monoisotopic Mass
410.031 Da
Topological Polar Surface Area
9.200 Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
539.000
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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A2310520