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2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol - 98%, high purity , CAS No.627906-52-9

COA

Grade & Purity:

≥98%

Cas Number: 627906-52-9
Molecular Weight: 234.10
EC Number: ‘858-146-3
PubChem CID: 51358338
PubChem SID: 504771056

In stock

Item Number

M589713

Grouped product items
SKU	Size	Availability	Price
M589713-100mg	100mg	2	$26.90
M589713-250mg	250mg	1	$46.90
M589713-1g	1g	1	$129.90
M589713-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$454.90

Basic Description

Synonyms	C16109 \| WWKXCYNPIQEAKJ-UHFFFAOYSA-N \| 4-Hydroxy-3-methylbenzeneboronic acid pinacol ester \| MB15281 \| Z2044773688 \| 2-METHYL-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL \| DTXSID101178467 \| SY274886 \| SCHEMBL822504 \| CAB90652 \| FT-0761590 \| 4-Hydroxy-3-
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Desiccated
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	Toluenes 1-hydroxy-2-unsubstituted benzenoids Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	O-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - 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	504771056
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771056
IUPAC Name	2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
INCHI	InChI=1S/C13H19BO3/c1-9-8-10(6-7-11(9)15)14-16-12(2,3)13(4,5)17-14/h6-8,15H,1-5H3
InChIKey	WWKXCYNPIQEAKJ-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)O)C
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)O)C
Molecular Weight	234.10
Reaxy-Rn	14425230
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14425230&ln=

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

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

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
K2308434	Certificate of Analysis	Oct 25, 2023	M589713
K2308430	Certificate of Analysis	Oct 25, 2023	M589713
K2308446	Certificate of Analysis	Oct 25, 2023	M589713
K2308428	Certificate of Analysis	Oct 25, 2023	M589713
K2308444	Certificate of Analysis	Oct 25, 2023	M589713
K2308445	Certificate of Analysis	Oct 25, 2023	M589713
K2308418	Certificate of Analysis	Oct 25, 2023	M589713

Chemical and Physical Properties

Molecular Weight	234.100 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	234.143 Da
Monoisotopic Mass	234.143 Da
Topological Polar Surface Area	38.700 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	274.000
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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