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2-Bromo-5-trifluoromethoxyphenylboronic acid - 96%, high purity , CAS No.957034-55-8

COA

Grade & Purity:

≥96%

Cas Number: 957034-55-8
Molecular Weight: 284.8
PubChem CID: 44558134

In stock

Item Number

B188693

Grouped product items
SKU	Size	Availability	Price
B188693-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$63.90
B188693-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$286.90
B188693-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,289.90

Discover 2-Bromo-5-trifluoromethoxyphenylboronic acid by Aladdin Scientific in 96% for only $63.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	957034-55-8 \| 2-Bromo-5-trifluoromethoxyphenylboronic acid \| (2-Bromo-5-(trifluoromethoxy)phenyl)boronic acid \| 2-Bromo-5-(trifluoromethoxy)phenylboronic acid \| [2-bromo-5-(trifluoromethoxy)phenyl]boronic acid \| 2-bromo-5-(trifluoromethoxy)benzeneboronic acid \| (2-Br
Specifications & Purity	≥96%
Shipped In	Normal

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 Bromobenzenes Aryl bromides Trihalomethanes Boronic acids Organic metalloid salts Organooxygen compounds Organometalloid compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Trihalomethane - Boronic acid derivative - Boronic acid - Organic metalloid salt - Organohalogen compound - Organobromide - Organofluoride - Organooxygen compound - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxygen compound - Alkyl halide - Organic metalloid moeity - 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-bromo-5-(trifluoromethoxy)phenyl]boronic acid
INCHI	InChI=1S/C7H5BBrF3O3/c9-6-2-1-4(15-7(10,11)12)3-5(6)8(13)14/h1-3,13-14H
InChIKey	QSBIMKBCXNIDTI-UHFFFAOYSA-N
Smiles	B(C1=C(C=CC(=C1)OC(F)(F)F)Br)(O)O
Isomeric SMILES	B(C1=C(C=CC(=C1)OC(F)(F)F)Br)(O)O
PubChem CID	44558134
Molecular Weight	284.8

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	284.820 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	283.947 Da
Monoisotopic Mass	283.947 Da
Topological Polar Surface Area	49.700 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	214.000
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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