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4-Chloroquinoline-8-carbonitrile - ≥95%, high purity , CAS No.132664-45-0

COA

Grade & Purity:

≥95%

Cas Number: 132664-45-0
Molecular Weight: 188.61
PubChem CID: 14792599

In stock

Item Number

C728083

Grouped product items
SKU	Size	Availability	Price
C728083-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$427.90
C728083-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$712.90
C728083-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,928.90

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 chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chloroquinoline - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Cyanide - Organic nitrogen 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-chloroquinoline-8-carbonitrile
INCHI	InChI=1S/C10H5ClN2/c11-9-4-5-13-10-7(6-12)2-1-3-8(9)10/h1-5H
InChIKey	OXKQMBHOOISBLS-UHFFFAOYSA-N
Smiles	C1=CC(=C2C(=C1)C(=CC=N2)Cl)C#N
Isomeric SMILES	C1=CC(=C2C(=C1)C(=CC=N2)Cl)C#N
PubChem CID	14792599
Molecular Weight	188.61

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	188.610 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	188.014 Da
Monoisotopic Mass	188.014 Da
Topological Polar Surface Area	36.700 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	232.000
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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