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4-Chloro-7-Iodoquinoline-3-Carbonitrile - ≥98%, high purity , CAS No.364793-64-6

COA

Grade & Purity:

≥98%

Cas Number: 364793-64-6
Molecular Weight: 314.51
PubChem CID: 23438021

In stock

Item Number

C731126

Grouped product items
SKU	Size	Availability	Price	Qty
C731126-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$743.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Haloquinolines

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 iodides Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organoiodides Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chloroquinoline - Aryl chloride - Aryl halide - Aryl iodide - Pyridine - Benzenoid - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organoiodide - Organonitrogen compound - Organopnictogen 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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	4-chloro-7-iodoquinoline-3-carbonitrile
INCHI	InChI=1S/C10H4ClIN2/c11-10-6(4-13)5-14-9-3-7(12)1-2-8(9)10/h1-3,5H
InChIKey	YZEWSNLPWKBALG-UHFFFAOYSA-N
Smiles	C1=CC2=C(C(=CN=C2C=C1I)C#N)Cl
Isomeric SMILES	C1=CC2=C(C(=CN=C2C=C1I)C#N)Cl
PubChem CID	23438021
Molecular Weight	314.51

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	314.510 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	313.911 Da
Monoisotopic Mass	313.911 Da
Topological Polar Surface Area	36.700 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	262.000
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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