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3,5-Dicarboxyphenylboronic acid, pinacol ester - 96%, high purity , CAS No.1041434-13-2

COA

Grade & Purity:

≥96%

Cas Number: 1041434-13-2
Molecular Weight: 292.1
PubChem CID: 53217115

In stock

Item Number

D178994

Grouped product items
SKU	Size	Availability	Price	Qty
D178994-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45.90
D178994-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$156.90

Basic Description

Synonyms	1041434-13-2 \| 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOPHTHALIC ACID \| 3,5-Dicarboxyphenylboronic acid, pinacol ester \| 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylic acid \| 3,5-DICARBOXYBENZENEBORONIC ACID PINACOL ESTER \| SCHEMBL
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 Phthalic acid and derivatives
        Level6 M-phthalic acid and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Phthalic acid and derivatives
Direct Parent	M-phthalic acid and derivatives
Alternative Parents	Benzoic acids Benzoyl derivatives Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Carboxylic acids Organooxygen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Meta_phthalic_acid - Benzoic acid - Benzoyl - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic metalloid salt - Oxacycle - Organooxygen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.
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	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylic acid
INCHI	InChI=1S/C14H17BO6/c1-13(2)14(3,4)21-15(20-13)10-6-8(11(16)17)5-9(7-10)12(18)19/h5-7H,1-4H3,(H,16,17)(H,18,19)
InChIKey	SHOCDYNDBPODHQ-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(=O)O)C(=O)O
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(=O)O)C(=O)O
Molecular Weight	292.1
Reaxy-Rn	18577375
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18577375&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	292.090 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	292.112 Da
Monoisotopic Mass	292.112 Da
Topological Polar Surface Area	93.100 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	409.000
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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