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4-Bromo-7-chloro-8-methyl-2-(trifluoromethyl)quinoline - 98%, high purity , CAS No.1072944-67-2
Discover 4-Bromo-7-chloro-8-methyl-2-(trifluoromethyl)quinoline by Aladdin Scientific in 98% for only $2,545.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-BROMO-7-CHLORO-8-METHYL-2-(TRIFLUOROMETHYL)QUINOLINE | 1072944-67-2 | DTXSID70674813 | AMY18066 | MFCD11504913 | AKOS015835363 | SB72867 | BS-25200 | CS-0212070 | FT-0769556
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
Chloroquinolines
Alternative Parents
Pyridines and derivatives Benzenoids Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chloroquinoline - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organochloride - Organobromide - Organohalogen compound - Alkyl halide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
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
4-bromo-7-chloro-8-methyl-2-(trifluoromethyl)quinoline
INCHI
InChI=1S/C11H6BrClF3N/c1-5-8(13)3-2-6-7(12)4-9(11(14,15)16)17-10(5)6/h2-4H,1H3
InChIKey
WOJBMSDNICSYGL-UHFFFAOYSA-N
Smiles
CC1=C(C=CC2=C1N=C(C=C2Br)C(F)(F)F)Cl
Isomeric SMILES
CC1=C(C=CC2=C1N=C(C=C2Br)C(F)(F)F)Cl
PubChem CID
46739188
Molecular Weight
324.5
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
324.520 g/mol
XLogP3
4.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
322.932 Da
Monoisotopic Mass
322.932 Da
Topological Polar Surface Area
12.900 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
286.000
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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