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3,7-Dibromo-4-hydroxyquinoline - 98%, high purity , CAS No.1203579-53-6
Basic Description
Synonyms
DTXSID30671085 | 3,7-Dibromoquinolin-4(1H)-one | 3,7-Dibromoquinolin-4-ol | 3,7-dibromo-1H-quinolin-4-one | 1203579-53-6 | MFCD13192872 | 3,7-Dibromo-4-hydroxyquinoline, AldrichCPR | 3,7-Dibromo-4-hydroxyquinoline
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Quinolones and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Hydroquinolones
Alternative Parents
Haloquinolines Hydroquinolines Pyridines and derivatives Benzenoids Aryl bromides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dihydroquinolone - Haloquinoline - Dihydroquinoline - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
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
504770612
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504770612
IUPAC Name
3,7-dibromo-1H-quinolin-4-one
INCHI
InChI=1S/C9H5Br2NO/c10-5-1-2-6-8(3-5)12-4-7(11)9(6)13/h1-4H,(H,12,13)
InChIKey
FCRKTWYWSKVPGU-UHFFFAOYSA-N
Smiles
C1=CC2=C(C=C1Br)NC=C(C2=O)Br
Isomeric SMILES
C1=CC2=C(C=C1Br)NC=C(C2=O)Br
WGK Germany
3
PubChem CID
45599543
Molecular Weight
302.95
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
302.950 g/mol
XLogP3
3.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
302.872 Da
Monoisotopic Mass
300.874 Da
Topological Polar Surface Area
29.100 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
264.000
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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C2528086