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3-(Carboxymethoxy)-5-fluorophenylboronic acid - 96%, high purity , CAS No.913835-56-0

COA

Grade & Purity:

≥96%

Cas Number: 913835-56-0
Molecular Weight: 214
PubChem CID: 44717594

In stock

Item Number

C188098

Grouped product items
SKU	Size	Availability	Price
C188098-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90
C188098-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$130.90
C188098-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$585.90

Basic Description

Synonyms	913835-56-0 \| 2-(3-borono-5-fluorophenoxy)acetic acid \| 3-(Carboxymethoxy)-5-fluorophenylboronic acid \| C8H8BFO5 \| 2-(3-Borono-5-fluorophenoxy)aceticacid \| SCHEMBL634323 \| 2-[3-(dihydroxyboranyl)-5-fluorophenoxy]acetic acid \| DTXSID40660243 \| AZIUTOMDLIOGHF-UHFFFAOYSA-N \|
Specifications & Purity	≥96%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenoxyacetic acid derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Phenoxyacetic acid derivatives
Alternative Parents	Phenoxy compounds Phenol ethers Fluorobenzenes Alkyl aryl ethers Aryl fluorides Boronic acids Organic metalloid salts Monocarboxylic acids and derivatives Carboxylic acids Organometalloid compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Boronic acid derivative - Boronic acid - Organic metalloid salt - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organofluoride - Organic metalloid moeity - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
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-(3-borono-5-fluorophenoxy)acetic acid
INCHI	InChI=1S/C8H8BFO5/c10-6-1-5(9(13)14)2-7(3-6)15-4-8(11)12/h1-3,13-14H,4H2,(H,11,12)
InChIKey	AZIUTOMDLIOGHF-UHFFFAOYSA-N
Smiles	B(C1=CC(=CC(=C1)F)OCC(=O)O)(O)O
Isomeric SMILES	B(C1=CC(=CC(=C1)F)OCC(=O)O)(O)O
Molecular Weight	214
Reaxy-Rn	23353885
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23353885&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	213.960 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	214.045 Da
Monoisotopic Mass	214.045 Da
Topological Polar Surface Area	87.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	225.000
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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