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2,7-Dichloro-8-methylquinoline - 98%, high purity , CAS No.1215205-97-2
Basic Description
Synonyms
2,7-DICHLORO-8-METHYLQUINOLINE | 1215205-97-2 | DTXSID20682423 | MFCD15143625 | Quinoline, 2,7-dichloro-8-methyl- | AKOS013528456 | SB69775 | BS-20980 | CS-0212333 | EN300-126607 | A891628
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
2-halopyridines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chloroquinoline - 2-halopyridine - Benzenoid - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - 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
2,7-dichloro-8-methylquinoline
INCHI
InChI=1S/C10H7Cl2N/c1-6-8(11)4-2-7-3-5-9(12)13-10(6)7/h2-5H,1H3
InChIKey
FJWUNDFOALTTAM-UHFFFAOYSA-N
Smiles
CC1=C(C=CC2=C1N=C(C=C2)Cl)Cl
Isomeric SMILES
CC1=C(C=CC2=C1N=C(C=C2)Cl)Cl
Molecular Weight
212.1
Reaxy-Rn
55828664
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=55828664&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
212.070 g/mol
XLogP3
4.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
210.996 Da
Monoisotopic Mass
210.996 Da
Topological Polar Surface Area
12.900 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
186.000
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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