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{4-[4-(Trifluoromethoxy)phenoxy]phenyl}boronic acid - ≥95%, high purity , CAS No.958457-41-5

COA

Grade & Purity:

≥95%

Cas Number: 958457-41-5
Molecular Weight: 298.03
MDL number: MFCD20491424
PubChem CID: 56776567

In stock

Item Number

P769738

Grouped product items
SKU	Size	Availability	Price
P769738-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$208.90
P769738-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$346.90
P769738-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$832.90
P769738-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,120.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylethers
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylethers
Alternative Parents	Diarylethers Phenoxy compounds Phenol ethers Trihalomethanes Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Boronic acid derivative - Trihalomethane - Boronic acid - Organic metalloid salt - Ether - Alkyl fluoride - Organofluoride - Organic metalloid moeity - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Halomethane - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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	[4-[4-(trifluoromethoxy)phenoxy]phenyl]boronic acid
INCHI	InChI=1S/C13H10BF3O4/c15-13(16,17)21-12-7-5-11(6-8-12)20-10-3-1-9(2-4-10)14(18)19/h1-8,18-19H
InChIKey	SIWUQLYUFGJITE-UHFFFAOYSA-N
Smiles	B(C1=CC=C(C=C1)OC2=CC=C(C=C2)OC(F)(F)F)(O)O
Isomeric SMILES	B(C1=CC=C(C=C1)OC2=CC=C(C=C2)OC(F)(F)F)(O)O
PubChem CID	56776567
Molecular Weight	298.03

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	298.020 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	298.062 Da
Monoisotopic Mass	298.062 Da
Topological Polar Surface Area	58.900 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	311.000
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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