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3-(Methoxycarbamoyl)phenylboronic acid - 97%, high purity , CAS No.850567-26-9

COA

Grade & Purity:

≥97%

Cas Number: 850567-26-9
Molecular Weight: 194.98
PubChem CID: 44118753
PubChem SID: 488200935

In stock

Item Number

M186993

Grouped product items
SKU	Size	Availability	Price
M186993-250mg	250mg	3	$27.90
M186993-1g	1g	3	$74.90
M186993-5g	5g	2	$336.90

Basic Description

Synonyms	(3-(Methoxycarbamoyl)phenyl)boronic acid \| 850567-26-9 \| 3-(Methoxycarbamoyl)phenylboronic acid \| [3-(methoxycarbamoyl)phenyl]boronic acid \| SCHEMBL3756621 \| DTXSID00656965 \| NDJZQOMZZXSXEM-UHFFFAOYSA-N \| AMY32840 \| MFCD04115698 \| AKOS006222260 \| AB20430 \| (3-(Methoxycarbamoyl
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	Benzene boronic acid mediated the ortho specific hydroxyalkylation of phenols by aldehydes. The ability of boronic acids to reversibly bind diol functional groups has been utilized for fluorescent detection of saccharides. It can be a effective catalyst for amidation and esterification of carboxylic acids.

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 acids and derivatives
Alternative Parents	Benzoyl derivatives Boronic acids Organic metalloid salts Carboxylic acids and derivatives Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoic acid or derivatives - Benzoyl - Boronic acid - Boronic acid derivative - Organic metalloid salt - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a 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

Pubchem Sid	488200935
IUPAC Name	[3-(methoxycarbamoyl)phenyl]boronic acid
INCHI	InChI=1S/C8H10BNO4/c1-14-10-8(11)6-3-2-4-7(5-6)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChIKey	NDJZQOMZZXSXEM-UHFFFAOYSA-N
Smiles	B(C1=CC(=CC=C1)C(=O)NOC)(O)O
Isomeric SMILES	B(C1=CC(=CC=C1)C(=O)NOC)(O)O
Molecular Weight	194.98
Reaxy-Rn	19132406
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19132406&ln=

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

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
L2416636	Certificate of Analysis	Sep 08, 2021	M186993

Chemical and Physical Properties

Solubility	Slightly soluble in water.
Molecular Weight	194.980 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	195.07 Da
Monoisotopic Mass	195.07 Da
Topological Polar Surface Area	78.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	200.000
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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