Skip to the beginning of the images gallery

2-(Methylcarbamoyl)phenylboronic acid - 96%, high purity , CAS No.874459-85-5

COA

Grade & Purity:

≥96%

Cas Number: 874459-85-5
Molecular Weight: 179
PubChem CID: 17832188

In stock

Item Number

M187499

Grouped product items
SKU	Size	Availability	Price	Qty
M187499-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,144.90
M187499-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,574.90

Discover 2-(Methylcarbamoyl)phenylboronic acid by Aladdin Scientific in 96% for only $1,144.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-(Methylcarbamoyl)phenylboronic Acid \| 874459-85-5 \| [2-(methylcarbamoyl)phenyl]boronic acid \| 2-(methylcarbamoyl)benzeneboronic acid \| MFCD22190724 \| (2-(Methylcarbamoyl)phenyl)boronic acid \| 2-(Methylcarbamoyl)phenylboronicAcid \| SCHEMBL791333 \| DTXSID10591171 \| ZJB4598
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	Benzamides
Alternative Parents	Benzoyl derivatives Secondary carboxylic acid amides Boronic acids Organic metalloid salts Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzamide - Benzoyl - Boronic acid derivative - Boronic acid - Secondary carboxylic acid amide - Carboxamide group - Organic metalloid salt - Carboxylic acid derivative - Organic nitrogen compound - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido 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

IUPAC Name	[2-(methylcarbamoyl)phenyl]boronic acid
INCHI	InChI=1S/C8H10BNO3/c1-10-8(11)6-4-2-3-5-7(6)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChIKey	AXWDCOSDMJAMOB-UHFFFAOYSA-N
Smiles	B(C1=CC=CC=C1C(=O)NC)(O)O
Isomeric SMILES	B(C1=CC=CC=C1C(=O)NC)(O)O
Molecular Weight	179
Reaxy-Rn	36885043
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36885043&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	178.980 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	179.075 Da
Monoisotopic Mass	179.075 Da
Topological Polar Surface Area	69.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	186.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration