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3-Fluoro-4-isopropoxyphenylboronic acid (contains varying amounts of Anhydride) - 98%, high purity , CAS No.480438-54-8

COA

Grade & Purity:

≥98%

Cas Number: 480438-54-8
Molecular Weight: 198
PubChem CID: 16217198
PubChem SID: 504768252

In stock

Item Number

F170538

Grouped product items
SKU	Size	Availability	Price
F170538-250mg	250mg	3	$24.90
F170538-1g	1g	3	$54.90
F170538-5g	5g	3	$157.90
F170538-25g	25g	2	$508.90

Basic Description

Synonyms	3-Fluoro-4-isopropoxyphenylboronic acid \| 480438-54-8 \| 3-FLUORO-4-ISOPROPOXYPHENYLBORONICACID \| (3-fluoro-4-propan-2-yloxyphenyl)boronic acid \| (3-fluoro-4-isopropoxyphenyl)boronic acid \| [3-FLUORO-4-(PROPAN-2-YLOXY)PHENYL]BORONIC ACID \| MFCD05865163 \| Boronic acid, B
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Product Application： Reactant involved in: Synthesis of azaxanthene based selective glucocorticoid receptor modulators Suzuki and Stille coupling for synthesis of oral venous antithrombotic drugs

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 Alkyl aryl ethers Aryl fluorides Boronic acids Organic metalloid salts Organofluorides Organoboron compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Boronic acid derivative - Boronic acid - Organic metalloid salt - Ether - Organic oxygen compound - Organohalogen compound - Organoboron compound - Organofluoride - Organooxygen compound - Organic salt - Hydrocarbon derivative - 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

Pubchem Sid	504768252
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768252
IUPAC Name	(3-fluoro-4-propan-2-yloxyphenyl)boronic acid
INCHI	InChI=1S/C9H12BFO3/c1-6(2)14-9-4-3-7(10(12)13)5-8(9)11/h3-6,12-13H,1-2H3
InChIKey	XZQQJUVWZYJYPN-UHFFFAOYSA-N
Smiles	B(C1=CC(=C(C=C1)OC(C)C)F)(O)O
Isomeric SMILES	B(C1=CC(=C(C=C1)OC(C)C)F)(O)O
WGK Germany	3
Molecular Weight	198
Reaxy-Rn	20476492
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20476492&ln=

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

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4 results found

Lot Number	Certificate Type	Date	Item
I2207757	Certificate of Analysis	Jun 10, 2025	F170538
I2207680	Certificate of Analysis	Jun 10, 2025	F170538
I2207673	Certificate of Analysis	Jun 10, 2025	F170538
I2207674	Certificate of Analysis	Jun 10, 2025	F170538

Chemical and Physical Properties

Melt Point(°C)	112-117 °C
Molecular Weight	198.000 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	198.086 Da
Monoisotopic Mass	198.086 Da
Topological Polar Surface Area	49.700 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	177.000
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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