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4-Formyl-3-methylphenylboronic acid - 98%, high purity , CAS No.398151-59-2

COA

Grade & Purity:

≥98%

Cas Number: 398151-59-2
Molecular Weight: 164
PubChem CID: 22341466

In stock

Item Number

F184289

Grouped product items
SKU	Size	Availability	Price	Qty
F184289-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,335.90

Basic Description

Synonyms	398151-59-2 \| (4-Formyl-3-methylphenyl)boronic acid \| 4-FORMYL-3-METHYLPHENYLBORONIC ACID \| SCHEMBL143164 \| DTXSID90624996 \| SSVPHQYUDZPVQX-UHFFFAOYSA-N \| YQA15159 \| MFCD10566601 \| (4-Formyl-3-methylphenyl)boronicacid \| 3-methyl-4-formylbenzene-boronic acid \| AKOS006304556 \| B
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoyl derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoyl derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoyl derivatives
Alternative Parents	Benzaldehydes Toluenes Boronic acids Organic metalloid salts Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoyl - Benzaldehyde - Aryl-aldehyde - Toluene - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aldehyde - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
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	(4-formyl-3-methylphenyl)boronic acid
INCHI	InChI=1S/C8H9BO3/c1-6-4-8(9(11)12)3-2-7(6)5-10/h2-5,11-12H,1H3
InChIKey	SSVPHQYUDZPVQX-UHFFFAOYSA-N
Smiles	B(C1=CC(=C(C=C1)C=O)C)(O)O
Isomeric SMILES	B(C1=CC(=C(C=C1)C=O)C)(O)O
Molecular Weight	164
Reaxy-Rn	27401159
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27401159&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	163.970 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	164.064 Da
Monoisotopic Mass	164.064 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160.000
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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