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3-Bromo-4-fluorophenylboronic acid - 98%, high purity , CAS No.1092533-91-9

COA

Grade & Purity:

≥98%

Cas Number: 1092533-91-9
Molecular Weight: 218.8
PubChem CID: 53216284

In stock

Item Number

B179359

Grouped product items
SKU	Size	Availability	Price	Qty
B179359-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$237.90
B179359-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$828.90

Basic Description

Synonyms	1092533-91-9 \| (3-Bromo-4-fluorophenyl)boronic acid \| 3-BROMO-4-FLUOROPHENYLBORONIC ACID \| MFCD13195642 \| SCHEMBL15573811 \| DTXSID20681537 \| BSJYNLUOXHQGCQ-UHFFFAOYSA-N \| (3-Bromo-4-fluorophenyl)boronicacid \| AKOS015834643 \| SY225406 \| CS-0113023 \| FT-0733529 \| A895111
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 Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Organobromides Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Fluorobenzene - Bromobenzene - Aryl halide - Aryl fluoride - Aryl bromide - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organofluoride - Organobromide - Organic metalloid moeity - Organohalogen compound - Aromatic homomonocyclic 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	(3-bromo-4-fluorophenyl)boronic acid
INCHI	InChI=1S/C6H5BBrFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,10-11H
InChIKey	BSJYNLUOXHQGCQ-UHFFFAOYSA-N
Smiles	B(C1=CC(=C(C=C1)F)Br)(O)O
Isomeric SMILES	B(C1=CC(=C(C=C1)F)Br)(O)O
Molecular Weight	218.8
Reaxy-Rn	27820455
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27820455&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	218.820 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	217.955 Da
Monoisotopic Mass	217.955 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136.000
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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