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2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol - 98%, high purity , CAS No.269410-25-5

COA

Grade & Purity:

≥98%

Cas Number: 269410-25-5
Molecular Weight: 248.13
MDL number: MFCD02093724
PubChem CID: 2734649
PubChem SID: 504761176

In stock

Item Number

D155828

Grouped product items
SKU	Size	Availability	Price
D155828-200mg	200mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$13.90
D155828-250mg	250mg	3	$23.90
D155828-1g	1g	3	$71.90
D155828-5g	5g	2	$242.90

View related series

arylboronic acid (628) Organoboron (685)

Basic Description

Synonyms	3,5-Dimethyl-4-hydroxyphenylboronic acid pinacol ester \| PS-9710 \| TYCKOBOJYNRIBO-UHFFFAOYSA-N \| AB10819 \| 2,6-dimethylphenol-4-boronic acid pinacol ester \| 2,6-dimethyl-4-(4,4-5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol \| 2-(4-Hydroxy-3,5-dimethylphen
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
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 Phenols
    - Subclass Cresols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Cresols
Intermediate Tree Nodes	Not available
Direct Parent	Ortho cresols
Alternative Parents	m-Xylenes Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organoboron compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	M-xylene - Xylene - O-cresol - Monocyclic benzene moiety - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Organoboron compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively.
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	504761176
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761176
IUPAC Name	2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
INCHI	InChI=1S/C14H21BO3/c1-9-7-11(8-10(2)12(9)16)15-17-13(3,4)14(5,6)18-15/h7-8,16H,1-6H3
InChIKey	TYCKOBOJYNRIBO-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)C)O)C
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)C)O)C
WGK Germany	3
Molecular Weight	248.13
Reaxy-Rn	14212941
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14212941&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.

7 results found

Lot Number	Certificate Type	Date	Item
J2128106	Certificate of Analysis	Aug 13, 2024	D155828
J2128107	Certificate of Analysis	Aug 13, 2024	D155828
J2128108	Certificate of Analysis	Aug 13, 2024	D155828
J2128679	Certificate of Analysis	Aug 13, 2024	D155828
K2229335	Certificate of Analysis	Oct 10, 2022	D155828
K2229266	Certificate of Analysis	Oct 10, 2022	D155828
K2229239	Certificate of Analysis	Oct 10, 2022	D155828

Chemical and Physical Properties

Solubility	Insoluble in water; Soluble in Methanol
Melt Point(°C)	100-110 ℃
Molecular Weight	248.130 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	248.158 Da
Monoisotopic Mass	248.158 Da
Topological Polar Surface Area	38.700 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	288.000
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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