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3-Benzyloxy-4-fluorophenylboronic acid(contains varying amounts of Anhydride) - 98%, high purity , CAS No.957034-74-1

COA

Grade & Purity:

≥98%

Cas Number: 957034-74-1
Molecular Weight: 246
PubChem CID: 44558156
PubChem SID: 488201004

In stock

Item Number

B188701

Grouped product items
SKU	Size	Availability	Price
B188701-250mg	250mg	3	$23.90
B188701-1g	1g	1	$55.90
B188701-5g	5g	2	$221.90
B188701-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$397.90

Basic Description

Synonyms	957034-74-1 \| 3-BENZYLOXY-4-FLUOROPHENYLBORONIC ACID \| 3-(Benzyloxy)-4-fluorophenylboronic acid \| (4-fluoro-3-phenylmethoxyphenyl)boronic acid \| (3-benzyloxy-4-fluoro-phenyl)boronic acid \| 3-(benzyloxy)-4-fluorobenzeneboronic acid \| MFCD09475829 \| 3-Benzyloxy-4-fluorop
Specifications & Purity	≥98%
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 Alkyl aryl ethers Aryl fluorides Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Ether - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic metalloid moeity - Organofluoride - Organooxygen 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

Pubchem Sid	488201004
IUPAC Name	(4-fluoro-3-phenylmethoxyphenyl)boronic acid
INCHI	InChI=1S/C13H12BFO3/c15-12-7-6-11(14(16)17)8-13(12)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2
InChIKey	QDKHJFAOVBXUDN-UHFFFAOYSA-N
Smiles	B(C1=CC(=C(C=C1)F)OCC2=CC=CC=C2)(O)O
Isomeric SMILES	B(C1=CC(=C(C=C1)F)OCC2=CC=CC=C2)(O)O
Molecular Weight	246
Reaxy-Rn	27191073
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27191073&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
L2111157	Certificate of Analysis	Sep 19, 2024	B188701
L2111158	Certificate of Analysis	Sep 19, 2024	B188701
L2111159	Certificate of Analysis	Sep 19, 2024	B188701
L2111212	Certificate of Analysis	Sep 19, 2024	B188701

Chemical and Physical Properties

Molecular Weight	246.040 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	246.086 Da
Monoisotopic Mass	246.086 Da
Topological Polar Surface Area	49.700 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	246.000
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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