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4-[(2′,6′-Diisopropylphenoxy)methyl]phenylboronic acid(contains varying amounts of Anhydride) - 95%, high purity , CAS No.1072951-63-3

COA

Grade & Purity:

≥95%

Cas Number: 1072951-63-3
Molecular Weight: 312.21
MDL number: MFCD08276829
PubChem CID: 16218135
PubChem SID: 504768318

In stock

Item Number

D165747

Grouped product items
SKU	Size	Availability	Price
D165747-1g	1g	4	$45.90
D165747-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$185.90
D165747-10g	10g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$334.90

Basic Description

Synonyms	1072951-63-3 \| (4-((2,6-Diisopropylphenoxy)methyl)phenyl)boronic acid \| 4-[(2',6'-Diisopropylphenoxy)methyl]phenylboronic acid \| [4-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]boronic acid \| (4-{[2,6-Di(propan-2-yl)phenoxy]methyl}phenyl)boronic acid \| SCHEMBL2553915
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Cumenes
Intermediate Tree Nodes	Not available
Direct Parent	Cumenes
Alternative Parents	Phenylpropanes Phenoxy compounds Phenol ethers Alkyl aryl ethers Boronic acids Organic metalloid salts Organoboron compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Cumene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Boronic acid - Boronic acid derivative - Organic metalloid salt - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organoboron compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
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	504768318
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768318
IUPAC Name	[4-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]boronic acid
INCHI	InChI=1S/C19H25BO3/c1-13(2)17-6-5-7-18(14(3)4)19(17)23-12-15-8-10-16(11-9-15)20(21)22/h5-11,13-14,21-22H,12H2,1-4H3
InChIKey	IYHHUWVULUSILI-UHFFFAOYSA-N
Smiles	B(C1=CC=C(C=C1)COC2=C(C=CC=C2C(C)C)C(C)C)(O)O
Isomeric SMILES	B(C1=CC=C(C=C1)COC2=C(C=CC=C2C(C)C)C(C)C)(O)O
WGK Germany	3
Molecular Weight	312.21
Reaxy-Rn	19577482
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19577482&ln=

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

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Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
G2131233	Certificate of Analysis	May 12, 2025	D165747
G2131234	Certificate of Analysis	May 12, 2025	D165747
G2131358	Certificate of Analysis	May 12, 2025	D165747
G2303501	Certificate of Analysis	Jul 10, 2023	D165747
L2410195	Certificate of Analysis	Aug 04, 2021	D165747

Chemical and Physical Properties

Sensitivity	Air sensitive
Molecular Weight	312.200 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	312.19 Da
Monoisotopic Mass	312.19 Da
Topological Polar Surface Area	49.700 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	322.000
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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