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9-Bromo-7,7-dimethyl-7H-benzo[c]fluorene - >99%, high purity , CAS No.1198396-46-1
Basic Description
Synonyms
9-bromo-7,7-dimethyl-7H-Benzo[c]fluorene | 1198396-46-1 | 9-bromo-7,7-dimethylbenzo[c]fluorene | 7H-Benzo[c]fluorene, 9-bromo-7,7-dimethyl- | 7H-Benzo[c]fluorene, 9-bromo-7,7-dimethyl-;9-Bromo-7,7-dimethyl-benzo[c]fluorene | SCHEMBL15113081 | YXB39646 | MFCD27980277 | AK
Specifications & Purity
≥99%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Fluorenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Fluorenes
Alternative Parents
Naphthalenes Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Fluorene - Naphthalene - 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
504772416
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504772416
IUPAC Name
9-bromo-7,7-dimethylbenzo[c]fluorene
INCHI
InChI=1S/C19H15Br/c1-19(2)16-10-7-12-5-3-4-6-14(12)18(16)15-9-8-13(20)11-17(15)19/h3-11H,1-2H3
InChIKey
SNUKBTHMZLUJKR-UHFFFAOYSA-N
Smiles
CC1(C2=C(C3=C1C=C(C=C3)Br)C4=CC=CC=C4C=C2)C
Isomeric SMILES
CC1(C2=C(C3=C1C=C(C=C3)Br)C4=CC=CC=C4C=C2)C
Molecular Weight
323.23
Reaxy-Rn
28189373
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28189373&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°C)
219 ºC
Boil Point(°C)
445 ºC
Melt Point(°C)
107℃
Molecular Weight
323.200 g/mol
XLogP3
6.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
322.036 Da
Monoisotopic Mass
322.036 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
374.000
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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C2210492