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[2-[[2,6-Bis(1-methylethyl)phenoxy]methyl]phenyl]boronic acid (contains varying amounts of Anhydride) - 97%, high purity , CAS No.1072951-64-4

COA

Grade & Purity:

≥97%

Cas Number: 1072951-64-4
Molecular Weight: 312.21
MDL number: MFCD08705265
PubChem CID: 16218177

In stock

Item Number

D165748

Grouped product items
SKU	Size	Availability	Price
D165748-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$33.90
D165748-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$152.90
D165748-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$684.90

Discover [2-[[2,6-Bis(1-methylethyl)phenoxy]methyl]phenyl]boronic acid (contains varying amounts of Anhydride) by Aladdin Scientific in 97% for only $33.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1072951-64-4 \| (2-((2,6-Diisopropylphenoxy)methyl)phenyl)boronic acid \| 2-[(2',6'-Diisopropylphenoxy)methyl]phenylboronic acid \| [2-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]boronic acid \| (2-{[2,6-Di(propan-2-yl)phenoxy]methyl}phenyl)boronic acid \| (2-((2,6-Diiso
Specifications & Purity	≥97%
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

IUPAC Name	[2-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]boronic acid
INCHI	InChI=1S/C19H25BO3/c1-13(2)16-9-7-10-17(14(3)4)19(16)23-12-15-8-5-6-11-18(15)20(21)22/h5-11,13-14,21-22H,12H2,1-4H3
InChIKey	HPQFMTHWDXHLCU-UHFFFAOYSA-N
Smiles	B(C1=CC=CC=C1COC2=C(C=CC=C2C(C)C)C(C)C)(O)O
Isomeric SMILES	B(C1=CC=CC=C1COC2=C(C=CC=C2C(C)C)C(C)C)(O)O
WGK Germany	3
PubChem CID	16218177
Molecular Weight	312.21

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

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

Analytical Chart:

Chemical and Physical Properties

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	330.000
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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