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3-Chloro-4-formylphenylboronic acid（contains varying amounts of Anhydride） - 98%, high purity , CAS No.1072952-53-4

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3-Chloro-4-formylphenylboronic acid（contains varying amounts of Anhydride） - 98%, high purity , CAS No.1072952-53-4

COA

Grade & Purity:

≥98%

Cas Number: 1072952-53-4
Molecular Weight: 184.4
PubChem CID: 42614540
PubChem SID: 488200903

In stock

Item Number

C179237

Grouped product items
SKU	Size	Availability	Price
C179237-100mg	100mg	3	$81.90
C179237-250mg	250mg	3	$153.90
C179237-1g	1g	5	$274.90
C179237-5g	5g	2	$1,234.90

Basic Description

Synonyms	3-Chloro-4-formylphenylboronic acid \| 1072952-53-4 \| (3-Chloro-4-formylphenyl)boronic acid \| 3-CHLORO-4-FORMYLBENZENEBORONIC ACID \| (3-Chloro-4-formylphenyl)boronicacid \| 4-BORONO-2-CHLOROBENZALDEHYDE \| SCHEMBL4339258 \| CHEMBL3236892 \| DTXSID30655148 \| KDIYVLXLPNHJRZ-UHFFF
Specifications & Purity	≥98%
Storage Temp	Room temperature,Argon charged
Shipped In	Normal
Product Description	Product Application: Used in suzuki cross-coupling

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoyl derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoyl derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoyl derivatives
Alternative Parents	Benzaldehydes Chlorobenzenes Aryl chlorides Vinylogous halides Boronic acids Organic metalloid salts Organometalloid compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzaldehyde - Benzoyl - Chlorobenzene - Aryl-aldehyde - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic metalloid moeity - Organohalogen compound - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
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

Associated Targets(Human)

KB (17409 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Staphylococcus aureus (210822 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488200903
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488200903
IUPAC Name	(3-chloro-4-formylphenyl)boronic acid
INCHI	InChI=1S/C7H6BClO3/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-4,11-12H
InChIKey	KDIYVLXLPNHJRZ-UHFFFAOYSA-N
Smiles	B(C1=CC(=C(C=C1)C=O)Cl)(O)O
Isomeric SMILES	B(C1=CC(=C(C=C1)C=O)Cl)(O)O
Molecular Weight	184.4
Reaxy-Rn	26774841
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26774841&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
G2307840	Certificate of Analysis	Jul 15, 2023	C179237
G2307834	Certificate of Analysis	Jul 15, 2023	C179237
G2307833	Certificate of Analysis	Jul 15, 2023	C179237
G2307835	Certificate of Analysis	Jul 15, 2023	C179237
G2307839	Certificate of Analysis	Jul 15, 2023	C179237
G2307844	Certificate of Analysis	Jul 15, 2023	C179237
G2307838	Certificate of Analysis	Jul 15, 2023	C179237
G2307843	Certificate of Analysis	Jul 15, 2023	C179237

Chemical and Physical Properties

Solubility	Insoluble in water.
Sensitivity	air sensitive
Melt Point(°C)	210-214°C
Molecular Weight	184.390 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	184.01 Da
Monoisotopic Mass	184.01 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165.000
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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