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2-Formyl-5-(trifluoromethoxy)phenylboronic acid - >98%, high purity , CAS No.1218790-89-6

COA

Grade & Purity:

≥98%

Cas Number: 1218790-89-6
Molecular Weight: 233.94
PubChem CID: 46739729

In stock

Item Number

F290737

Grouped product items
SKU	Size	Availability	Price	Qty
F290737-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$55.90

Basic Description

Synonyms	1218790-89-6 \| 2-FORMYL-5-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID \| (2-Formyl-5-(trifluoromethoxy)phenyl)boronic acid \| [2-formyl-5-(trifluoromethoxy)phenyl]boronic acid \| SCHEMBL13838449 \| AMY3480 \| DTXSID80675316 \| MFCD10566600 \| AKOS015837459 \| BS-21193 \| CS-0084885 \| D71402 \| (
Specifications & Purity	≥98%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds Benzoyl derivatives Benzaldehydes Trihalomethanes Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Aryl-aldehyde - Monocyclic benzene moiety - Trihalomethane - Boronic acid derivative - Boronic acid - Organic metalloid salt - Aldehyde - Organofluoride - Organic metalloid moeity - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with 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-formyl-5-(trifluoromethoxy)phenyl]boronic acid
INCHI	InChI=1S/C8H6BF3O4/c10-8(11,12)16-6-2-1-5(4-13)7(3-6)9(14)15/h1-4,14-15H
InChIKey	GZRIYFFBRIQGSC-UHFFFAOYSA-N
Smiles	B(C1=C(C=CC(=C1)OC(F)(F)F)C=O)(O)O
Isomeric SMILES	B(C1=C(C=CC(=C1)OC(F)(F)F)C=O)(O)O
Molecular Weight	233.94
Reaxy-Rn	28654793
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28654793&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	233.940 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	234.031 Da
Monoisotopic Mass	234.031 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	246.000
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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