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6-Bromo-2-chloro-3-methoxyphenylboronic acid(contains varying amounts of Anhydride) - 98%, high purity , CAS No.957062-55-4

COA

Grade & Purity:

≥98%

Cas Number: 957062-55-4
Molecular Weight: 265.3
PubChem CID: 44118608
PubChem SID: 504770238

In stock

Item Number

B188756

Grouped product items
SKU	Size	Availability	Price
B188756-250mg	250mg	3	$14.90
B188756-1g	1g	3	$35.90
B188756-5g	5g	2	$123.90

Basic Description

Synonyms	957062-55-4 \| 6-Bromo-2-chloro-3-methoxyphenylboronic acid \| (6-bromo-2-chloro-3-methoxyphenyl)boronic acid \| 2-Chloro-3-methoxy-6-bromophenylboronic acid \| (6-bromo-2-chloro-3-methoxy-phenyl)boronic acid \| Prodeconiumbromide \| (6-Bromo-2-chloro-3-methoxyphenyl)boron
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers
    - Subclass Anisoles

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Anisoles
Intermediate Tree Nodes	Not available
Direct Parent	Anisoles
Alternative Parents	Phenoxy compounds Methoxybenzenes Chlorobenzenes Bromobenzenes Alkyl aryl ethers Aryl chlorides Aryl bromides Boronic acids Organic metalloid salts Organometalloid compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - Chlorobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Boronic acid derivative - Boronic acid - Organic metalloid salt - Ether - Organic metalloid moeity - Organobromide - Organochloride - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
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	504770238
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770238
IUPAC Name	(6-bromo-2-chloro-3-methoxyphenyl)boronic acid
INCHI	InChI=1S/C7H7BBrClO3/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3,11-12H,1H3
InChIKey	YITPGJUOVXQLPQ-UHFFFAOYSA-N
Smiles	B(C1=C(C=CC(=C1Cl)OC)Br)(O)O
Isomeric SMILES	B(C1=C(C=CC(=C1Cl)OC)Br)(O)O
PubChem CID	44118608
Molecular Weight	265.3

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
A2213122	Certificate of Analysis	Oct 12, 2024	B188756
A2213123	Certificate of Analysis	Oct 12, 2024	B188756
A2213124	Certificate of Analysis	Oct 12, 2024	B188756

Chemical and Physical Properties

Molecular Weight	265.300 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	263.936 Da
Monoisotopic Mass	263.936 Da
Topological Polar Surface Area	49.700 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	172.000
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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