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[3,5-Bis(ethoxycarbonyl)phenyl]boronic Acid (contains varying amounts of Anhydride) - 98%, high purity , CAS No.932378-94-4

COA

Grade & Purity:

≥98%

Cas Number: 932378-94-4
Molecular Weight: 266.06
MDL number: MFCD11867795
PubChem CID: 118703475
PubChem SID: 488202649

In stock

Item Number

B405413

Grouped product items
SKU	Size	Availability	Price
B405413-250mg	250mg	4	$16.90
B405413-1g	1g	1	$54.90
B405413-5g	5g	1	$245.90

View related series

arylboronic acid (628) Organoboron (685)

Basic Description

Synonyms	C12H15BO6 \| (3,5-Bis(ethoxycarbonyl)phenyl)boronic acid (contains various amounts of anhydride) \| B6032 \| (3,5-bis(ethoxycarbonyl)phenyl)boronicacid \| 3,5-bis(ethoxycarbonyl)phenylboronicacid \| 3,5-bis(ethoxycarbonyl)phenylboronic acid \| AKOS037646022 \| W
Specifications & Purity	≥98%

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 Phthalate esters
        Level7 m-Phthalate esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Phthalic acid and derivatives - Phthalate esters
Direct Parent	m-Phthalate esters
Alternative Parents	M-phthalic acid and derivatives Benzoic acid esters Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid esters Boronic acids Organic metalloid salts Organooxygen compounds Organoboron compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Meta-phthalic acid ester - Meta_phthalic_acid - Benzoate ester - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Boronic acid - Boronic acid derivative - Organic metalloid salt - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organoboron compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.
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	488202649
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488202649
IUPAC Name	[3,5-bis(ethoxycarbonyl)phenyl]boronic acid
INCHI	InChI=1S/C12H15BO6/c1-3-18-11(14)8-5-9(12(15)19-4-2)7-10(6-8)13(16)17/h5-7,16-17H,3-4H2,1-2H3
InChIKey	XXBGYFGJSMAOSZ-UHFFFAOYSA-N
Smiles	B(C1=CC(=CC(=C1)C(=O)OCC)C(=O)OCC)(O)O
Isomeric SMILES	B(C1=CC(=CC(=C1)C(=O)OCC)C(=O)OCC)(O)O
Molecular Weight	266.06
Reaxy-Rn	10682709
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10682709&ln=

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

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

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
C2309342	Certificate of Analysis	Feb 13, 2023	B405413
C2309343	Certificate of Analysis	Feb 13, 2023	B405413
C2309352	Certificate of Analysis	Feb 13, 2023	B405413
C2309349	Certificate of Analysis	Feb 13, 2023	B405413
C2309341	Certificate of Analysis	Feb 13, 2023	B405413
C2309353	Certificate of Analysis	Feb 13, 2023	B405413
C2526224	Certificate of Analysis	Feb 13, 2023	B405413

Chemical and Physical Properties

Solubility	Soluble in Methanol
Molecular Weight	266.060 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	266.096 Da
Monoisotopic Mass	266.096 Da
Topological Polar Surface Area	93.100 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	293.000
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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