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4-Carboxy-3-chlorophenylboronic acid, pinacol ester - 96%, high purity , CAS No.890839-31-3

COA

Grade & Purity:

≥96%

Cas Number: 890839-31-3
Molecular Weight: 282.5
PubChem CID: 46739773

In stock

Item Number

C187828

Grouped product items
SKU	Size	Availability	Price
C187828-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$152.90
C187828-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$522.90
C187828-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,351.90

Discover 4-Carboxy-3-chlorophenylboronic acid, pinacol ester by Aladdin Scientific in 96% for only $152.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	890839-31-3 \| 2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid \| 4-carboxy-3-chlorophenylboronic acid, pinacol ester \| 4-Carboxy-3-chlorophenylboronic acid pinacol ester \| MFCD12546621 \| 2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)be
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Halobenzoic acids and derivatives
        Level6 Halobenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Halobenzoic acids and derivatives
Direct Parent	Halobenzoic acids
Alternative Parents	2-halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Hydrocarbon derivatives Organic oxides Organochlorides Organometalloid compounds Organooxygen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Halobenzoic acid - 2-halobenzoic acid - 2-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Boronic acid ester - 1,3,2-dioxaborolane - Vinylogous halide - Boronic acid derivative - Organoheterocyclic compound - Organic metalloid salt - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organic metalloid moeity - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on 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-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
INCHI	InChI=1S/C13H16BClO4/c1-12(2)13(3,4)19-14(18-12)8-5-6-9(11(16)17)10(15)7-8/h5-7H,1-4H3,(H,16,17)
InChIKey	MFHUTQFPFZUQCI-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)O)Cl
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)O)Cl
Molecular Weight	282.5
Reaxy-Rn	14563293
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14563293&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	282.530 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	282.083 Da
Monoisotopic Mass	282.083 Da
Topological Polar Surface Area	55.800 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	356.000
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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