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2-Chloroquinoline-3-boronic acid(contains varying amounts of Anhydride) - 97%, high purity , CAS No.128676-84-6

COA

Grade & Purity:

≥97%

Cas Number: 128676-84-6
Molecular Weight: 207.42
MDL number: MFCD01114675
PubChem CID: 4198643

In stock

Item Number

C133002

Grouped product items
SKU	Size	Availability	Price
C133002-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
C133002-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$16.90
C133002-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45.90
C133002-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$136.90

Basic Description

Synonyms	2-Chloroquinoline-3-boronic acid \| 128676-84-6 \| (2-chloroquinolin-3-yl)boronic Acid \| 2-Chloroquinolin-3-boronic acid \| 2-Chloroquinolin-3-ylboronic acid \| 2-Chloro-3-quinolineboronic acid \| Boronic acid, B-(2-chloro-3-quinolinyl)- \| 2-Chloroquinoline-3-boronicacid \| 2-
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	2-halopyridines Benzenoids Aryl chlorides Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organochlorides Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chloroquinoline - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Boronic acid derivative - Boronic acid - Azacycle - Organic metalloid salt - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organic metalloid moeity - Organohalogen compound - Organic nitrogen compound - Organic oxygen 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	(2-chloroquinolin-3-yl)boronic acid
INCHI	InChI=1S/C9H7BClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5,13-14H
InChIKey	JAQXYUOPSOXQCG-UHFFFAOYSA-N
Smiles	B(C1=CC2=CC=CC=C2N=C1Cl)(O)O
Isomeric SMILES	B(C1=CC2=CC=CC=C2N=C1Cl)(O)O
WGK Germany	3
Molecular Weight	207.42
Reaxy-Rn	18332691
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18332691&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	144-147°C
Molecular Weight	207.420 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	207.026 Da
Monoisotopic Mass	207.026 Da
Topological Polar Surface Area	53.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	205.000
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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