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3-(4-Ethoxycarbonylbutyloxy)-2,4,6-trifluorophenylboronic acid - 96%, high purity , CAS No.1150114-31-0

COA

Grade & Purity:

≥96%

Cas Number: 1150114-31-0
Molecular Weight: 320.1
PubChem CID: 46738964

In stock

Item Number

E179588

Grouped product items
SKU	Size	Availability	Price	Qty
E179588-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$154.90
E179588-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$556.90

Basic Description

Synonyms	1150114-31-0 \| (3-((5-Ethoxy-5-oxopentyl)oxy)-2,4,6-trifluorophenyl)boronic acid \| 3-(4-Ethoxycarbonylbutyloxy)-2,4,6-trifluorophenylboronic acid \| [3-(5-ethoxy-5-oxopentoxy)-2,4,6-trifluorophenyl]boronic acid \| {3-[(5-Ethoxy-5-oxopentyl)oxy]-2,4,6-trifluoropheny
Specifications & Purity	≥96%
Storage Temp	Room temperature
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 Fluorobenzenes Fatty acid esters Alkyl aryl ethers Aryl fluorides Carboxylic acid esters Boronic acids Organic metalloid salts Monocarboxylic acids and derivatives Organometalloid compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Alkyl aryl ether - Fatty acid ester - Fluorobenzene - Halobenzene - Fatty acyl - Monocyclic benzene moiety - Aryl fluoride - Aryl halide - Boronic acid derivative - Boronic acid - Carboxylic acid ester - Organic metalloid salt - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Organic metalloid moeity - Organofluoride - Organooxygen compound - Organohalogen compound - Organic oxide - Organic oxygen compound - 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	[3-(5-ethoxy-5-oxopentoxy)-2,4,6-trifluorophenyl]boronic acid
INCHI	InChI=1S/C13H16BF3O5/c1-2-21-10(18)5-3-4-6-22-13-9(16)7-8(15)11(12(13)17)14(19)20/h7,19-20H,2-6H2,1H3
InChIKey	IZPKPMGAODMUFI-UHFFFAOYSA-N
Smiles	B(C1=C(C(=C(C=C1F)F)OCCCCC(=O)OCC)F)(O)O
Isomeric SMILES	B(C1=C(C(=C(C=C1F)F)OCCCCC(=O)OCC)F)(O)O
PubChem CID	46738964
Molecular Weight	320.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	320.070 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	320.104 Da
Monoisotopic Mass	320.104 Da
Topological Polar Surface Area	76.000 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	348.000
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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