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2-(2-Bromoethyl)phenylboronic acid - 98%, high purity , CAS No.850568-82-0

COA

Grade & Purity:

≥98%

Cas Number: 850568-82-0
Molecular Weight: 228.9
PubChem CID: 44119321

In stock

Item Number

B187061

Grouped product items
SKU	Size	Availability	Price	Qty
B187061-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$110.90
B187061-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$397.90

Basic Description

Synonyms	850568-82-0 \| (2-(2-Bromoethyl)phenyl)boronic acid \| 2-(2-Bromoethyl)phenylboronic acid \| [2-(2-bromoethyl)phenyl]boronic acid \| 2-(2-Bromoethyl)benzeneboronic acid \| DTXSID60657135 \| MFCD06659854 \| AKOS015836217 \| AB26477 \| BS-25897 \| CS-0175243 \| FT-0644951 \| A841141
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Boronic acids Organic metalloid salts Organometalloid compounds Organobromides Organic oxygen compounds Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organobromide - Organic metalloid moeity - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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-(2-bromoethyl)phenyl]boronic acid
INCHI	InChI=1S/C8H10BBrO2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,11-12H,5-6H2
InChIKey	XIPVXKZTNMWBDZ-UHFFFAOYSA-N
Smiles	B(C1=CC=CC=C1CCBr)(O)O
Isomeric SMILES	B(C1=CC=CC=C1CCBr)(O)O
Molecular Weight	228.9
Reaxy-Rn	42958772
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42958772&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	228.880 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	227.996 Da
Monoisotopic Mass	227.996 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	132.000
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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