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8-Bromoquinoline, HCl - 98%, high purity , CAS No.1081803-09-9
Discover 8-Bromoquinoline, HCl by Aladdin Scientific in 98% for only $1,144.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
8-BROMOQUINOLINE HYDROCHLORIDE | 1081803-09-9 | 8-bromoquinoline, hcl | 8-Bromoquinoline HCl | 8-bromoquinoline;hydrochloride | 8-Bromoquinolinehydrochloride | DTXSID00671870 | MFCD08062292 | AKOS015897182 | SB69414 | BS-26125 | 8-Bromoquinoline--hydrogen chloride (1/1) | CS-044
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Haloquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Haloquinolines
Alternative Parents
Pyridines and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Haloquinoline - Benzenoid - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen 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
8-bromoquinoline;hydrochloride
INCHI
InChI=1S/C9H6BrN.ClH/c10-8-5-1-3-7-4-2-6-11-9(7)8;/h1-6H;1H
InChIKey
PWBLKYOKAULBMR-UHFFFAOYSA-N
Smiles
C1=CC2=C(C(=C1)Br)N=CC=C2.Cl
Isomeric SMILES
C1=CC2=C(C(=C1)Br)N=CC=C2.Cl
Molecular Weight
244.5
Reaxy-Rn
3696706
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3696706&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
244.510 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
242.945 Da
Monoisotopic Mass
242.945 Da
Topological Polar Surface Area
12.900 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
138.000
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
2
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