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2-Methyl-5-(trifluoromethylsulfonyl)phenylboronic acid - 95%, high purity , CAS No.1150114-49-0

COA

Grade & Purity:

≥95%

Cas Number: 1150114-49-0
Molecular Weight: 268
PubChem CID: 46739491

In stock

Item Number

M179592

Grouped product items
SKU	Size	Availability	Price	Qty
M179592-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$141.90
M179592-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$510.90

Discover 2-Methyl-5-(trifluoromethylsulfonyl)phenylboronic acid by Aladdin Scientific in 95% for only $141.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1150114-49-0 \| 2-Methyl-5-(trifluoromethylsulfonyl)phenylboronic acid \| (2-Methyl-5-((trifluoromethyl)sulfonyl)phenyl)boronic acid \| [2-methyl-5-(trifluoromethylsulfonyl)phenyl]boronic acid \| (2-Methyl-5-((trifluoromethyl)-sulfonyl)phenyl)boronic acid \| SCHEMBL1253
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonyl compounds
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonyl compounds
Alternative Parents	Toluenes Sulfones Trihalomethanes Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzenesulfonyl group - Toluene - Sulfone - Sulfonyl - Boronic acid derivative - Boronic acid - Trihalomethane - Organic metalloid salt - Organic oxide - Organic oxygen compound - Organosulfur compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
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-methyl-5-(trifluoromethylsulfonyl)phenyl]boronic acid
INCHI	InChI=1S/C8H8BF3O4S/c1-5-2-3-6(4-7(5)9(13)14)17(15,16)8(10,11)12/h2-4,13-14H,1H3
InChIKey	ZYVAJJOEQOUMOF-UHFFFAOYSA-N
Smiles	B(C1=C(C=CC(=C1)S(=O)(=O)C(F)(F)F)C)(O)O
Isomeric SMILES	B(C1=C(C=CC(=C1)S(=O)(=O)C(F)(F)F)C)(O)O
Molecular Weight	268
Reaxy-Rn	22889486
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22889486&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	268.020 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	268.019 Da
Monoisotopic Mass	268.019 Da
Topological Polar Surface Area	83.000 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	362.000
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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