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3-[(4-Chloro-3-methylphenoxy)methyl]phenylboronic acid (contains varying amounts of Anhydride) - 98%, high purity , CAS No.1072951-91-7

COA

Grade & Purity:

≥98%

Cas Number: 1072951-91-7
Molecular Weight: 276.52
PubChem CID: 16218356
PubChem SID: 488199306

In stock

Item Number

C165767

Grouped product items
SKU	Size	Availability	Price
C165767-1g	1g	4	$27.90
C165767-5g	5g	5	$122.90
C165767-10g	10g	4	$221.90

Discover 3-[(4-Chloro-3-methylphenoxy)methyl]phenylboronic acid (contains varying amounts of Anhydride) by Aladdin Scientific in 98% for only $27.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	3-[(4-Chloro-3-methylphenoxy)methyl]phenylboronic acid \| 1072951-91-7 \| [3-[(4-chloro-3-methylphenoxy)methyl]phenyl]boronic acid \| {3-[(4-Chloro-3-methylphenoxy)methyl]phenyl}boronic acid \| SCHEMBL9893556 \| DTXSID50584901 \| MFCD09265140 \| AKOS010794911 \| BS-23031 \| CS-0178
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

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 Alkyl aryl ethers Aryl chlorides Boronic acids Organic metalloid salts Organochlorides Organoboron compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Boronic acid derivative - Boronic acid - Ether - Organic metalloid salt - Organochloride - Organooxygen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organohalogen compound - Organoboron 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	488199306
IUPAC Name	[3-[(4-chloro-3-methylphenoxy)methyl]phenyl]boronic acid
INCHI	InChI=1S/C14H14BClO3/c1-10-7-13(5-6-14(10)16)19-9-11-3-2-4-12(8-11)15(17)18/h2-8,17-18H,9H2,1H3
InChIKey	MLTCJWUQGYLPLF-UHFFFAOYSA-N
Smiles	B(C1=CC(=CC=C1)COC2=CC(=C(C=C2)Cl)C)(O)O
Isomeric SMILES	B(C1=CC(=CC=C1)COC2=CC(=C(C=C2)Cl)C)(O)O
WGK Germany	3
Molecular Weight	276.52
Reaxy-Rn	49574775
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=49574775&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
B23071134	Certificate of Analysis	Nov 28, 2022	C165767
B23071138	Certificate of Analysis	Nov 28, 2022	C165767
C2528102	Certificate of Analysis	Nov 28, 2022	C165767
B23071146	Certificate of Analysis	Nov 28, 2022	C165767

Chemical and Physical Properties

Molecular Weight	276.520 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	276.072 Da
Monoisotopic Mass	276.072 Da
Topological Polar Surface Area	49.700 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	277.000
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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