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5-Bromo-2-fluoro-1,3-phenylenediboronic acid, pinacol ester - 98%, high purity , CAS No.942069-49-0

COA

Grade & Purity:

≥98%

Cas Number: 942069-49-0
Molecular Weight: 426.9
PubChem CID: 46739484

In stock

Item Number

B188484

Grouped product items
SKU	Size	Availability	Price	Qty
B188484-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$117.90
B188484-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$526.90

Discover 5-Bromo-2-fluoro-1,3-phenylenediboronic acid, pinacol ester by Aladdin Scientific in 98% for only $117.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	A859531 \| BS-22772 \| 5-Bromo-2-fluoro-1,3-phenylenediboronic acid,pinacol ester \| 2-[5-bromo-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane \| MFCD12026099 \| 5-Bromo-2-fluoro-1,3-phenylenediboronic a
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Fluorobenzenes
Alternative Parents	Bromobenzenes Aryl fluorides Aryl bromides Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Bromobenzene - Fluorobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Organohalogen compound - Organic metalloid moeity - Organobromide - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to 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-[5-bromo-2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
INCHI	InChI=1S/C18H26B2BrFO4/c1-15(2)16(3,4)24-19(23-15)12-9-11(21)10-13(14(12)22)20-25-17(5,6)18(7,8)26-20/h9-10H,1-8H3
InChIKey	JUIGKQZHOKNIRX-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2F)B3OC(C(O3)(C)C)(C)C)Br
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2F)B3OC(C(O3)(C)C)(C)C)Br
Molecular Weight	426.9
Reaxy-Rn	9511210
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9511210&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	426.900 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	426.118 Da
Monoisotopic Mass	426.118 Da
Topological Polar Surface Area	36.900 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	479.000
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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