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4-Chloro-3-(ethoxycarbonyl)benzeneboronic acid, 96% - ≥96%, high purity , CAS No.874219-46-2

COA

Grade & Purity:

≥96%

Cas Number: 874219-46-2
Molecular Weight: 228.44
PubChem CID: 44119820
PubChem SID: 488200961

In stock

Item Number

C139374

Grouped product items
SKU	Size	Availability	Price
C139374-250mg	250mg	3	$24.90
C139374-1g	1g	3	$54.90
C139374-5g	5g	2	$208.90
C139374-10g	10g	1	$374.90

Discover 4-Chloro-3-(ethoxycarbonyl)benzeneboronic acid, 96% by Aladdin Scientific in ≥96% for only $24.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	874219-46-2 \| (4-Chloro-3-(ethoxycarbonyl)phenyl)boronic acid \| 4-Chloro-3-(ethoxycarbonyl)phenylboronic acid \| 4-chloro-3-(ethoxycarbony)phenylboronic acid \| (4-chloro-3-ethoxycarbonylphenyl)boronic acid \| 4-Chloro-3-(ethoxycarbonyl)benzeneboronic acid \| 4-chloro-3-
Specifications & Purity	≥96%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	2-halobenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Carboxylic acid esters Boronic acids Organic metalloid salts Organooxygen compounds Organometalloid compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Boronic acid derivative - Boronic acid - Carboxylic acid ester - Carboxylic acid derivative - Organic metalloid salt - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic metalloid moeity - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
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

Pubchem Sid	488200961
IUPAC Name	(4-chloro-3-ethoxycarbonylphenyl)boronic acid
INCHI	InChI=1S/C9H10BClO4/c1-2-15-9(12)7-5-6(10(13)14)3-4-8(7)11/h3-5,13-14H,2H2,1H3
InChIKey	HYQMEDIXHJXOND-UHFFFAOYSA-N
Smiles	B(C1=CC(=C(C=C1)Cl)C(=O)OCC)(O)O
Isomeric SMILES	B(C1=CC(=C(C=C1)Cl)C(=O)OCC)(O)O
Molecular Weight	228.44
Reaxy-Rn	18954489
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18954489&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
A2208399	Certificate of Analysis	Oct 08, 2023	C139374
A2208368	Certificate of Analysis	Oct 08, 2023	C139374
A2208360	Certificate of Analysis	Oct 08, 2023	C139374
A2208400	Certificate of Analysis	Dec 04, 2021	C139374

Chemical and Physical Properties

Molecular Weight	228.440 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	228.036 Da
Monoisotopic Mass	228.036 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	224.000
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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