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3-Bromo-2-(3'-chlorobenzyloxy)-5-methylphenylboronic acid(contains varying amounts of Anhydride) - 95%, high purity , CAS No.870778-83-9

COA

Grade & Purity:

≥95%

Cas Number: 870778-83-9
Molecular Weight: 355.42
MDL number: MFCD06798105
PubChem CID: 16217698
PubChem SID: 504768279

In stock

Item Number

B187292

Grouped product items
SKU	Size	Availability	Price
B187292-250mg	250mg	2	$106.90
B187292-1g	1g	2	$248.90
B187292-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$590.90

Basic Description

Synonyms	870778-83-9 \| (3-Bromo-2-((3-chlorobenzyl)oxy)-5-methylphenyl)boronic acid \| 3-Bromo-2-(3'-chlorobenzyloxy)-5-methylphenylboronic acid \| [3-bromo-2-[(3-chlorophenyl)methoxy]-5-methylphenyl]boronic acid \| {3-Bromo-2-[(3-chlorophenyl)methoxy]-5-methylphenyl}boronic
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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 Toluenes Chlorobenzenes Bromobenzenes Alkyl aryl ethers Aryl chlorides Aryl bromides Boronic acids Organic metalloid salts Organochlorides Organobromides Organoboron compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Boronic acid derivative - Boronic acid - Ether - Organic metalloid salt - Organobromide - Organochloride - Organic oxygen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organoboron compound - Organohalogen 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	504768279
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768279
IUPAC Name	[3-bromo-2-[(3-chlorophenyl)methoxy]-5-methylphenyl]boronic acid
INCHI	InChI=1S/C14H13BBrClO3/c1-9-5-12(15(18)19)14(13(16)6-9)20-8-10-3-2-4-11(17)7-10/h2-7,18-19H,8H2,1H3
InChIKey	GKYZLQGDWVHPPQ-UHFFFAOYSA-N
Smiles	B(C1=CC(=CC(=C1OCC2=CC(=CC=C2)Cl)Br)C)(O)O
Isomeric SMILES	B(C1=CC(=CC(=C1OCC2=CC(=CC=C2)Cl)Br)C)(O)O
WGK Germany	3
Molecular Weight	355.42
Reaxy-Rn	49574871
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=49574871&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.

2 results found

Lot Number	Certificate Type	Date	Item
L1903167	Certificate of Analysis	Jun 16, 2025	B187292
L2220138	Certificate of Analysis	Jan 05, 2023	B187292

Chemical and Physical Properties

Sensitivity	Heat & Moisture sensitive
Melt Point(°C)	118-123°C
Molecular Weight	355.420 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	353.983 Da
Monoisotopic Mass	353.983 Da
Topological Polar Surface Area	49.700 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	308.000
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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