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(2-Chloro-6-hydroxyphenyl)boronic acid - ≥98%, high purity , CAS No.958646-70-3

COA

Grade & Purity:

≥98%

Cas Number: 958646-70-3
Molecular Weight: 172.37
PubChem CID: 54758882

In stock

Item Number

B733883

Grouped product items
SKU	Size	Availability	Price
B733883-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$46.90
B733883-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$226.90
B733883-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$978.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Halophenols
      - Level5 Chlorophenols
        Level6 M-chlorophenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Halophenols
Intermediate Tree Nodes	Chlorophenols
Direct Parent	M-chlorophenols
Alternative Parents	Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Boronic acids Organic metalloid salts Organooxygen compounds Organochlorides Organoboron compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Boronic acid derivative - Boronic acid - Organic metalloid salt - Organic oxygen compound - Organohalogen compound - Organoboron compound - Organochloride - Organooxygen compound - Organic salt - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-chlorophenols. These are chlorophenols carrying a iodine at the C3 position of the benzene ring.
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-chloro-6-hydroxyphenyl)boronic acid
INCHI	InChI=1S/C6H6BClO3/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,9-11H
InChIKey	HPTKHPAGOMESFW-UHFFFAOYSA-N
Smiles	B(C1=C(C=CC=C1Cl)O)(O)O
Isomeric SMILES	B(C1=C(C=CC=C1Cl)O)(O)O
PubChem CID	54758882
Molecular Weight	172.37

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	172.370 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	172.01 Da
Monoisotopic Mass	172.01 Da
Topological Polar Surface Area	60.700 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	133.000
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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