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4-Methyl-3-(4，4，5，5-tetramethyl-1，3，2-dioxaborolan-2-yl)phenol - ≥98%, high purity , CAS No.1196985-65-5

COA

Grade & Purity:

≥98%

Cas Number: 1196985-65-5
Molecular Weight: 234.1
MDL number: MFCD16994425
PubChem CID: 72219564

In stock

Item Number

M770464

Grouped product items
SKU	Size	Availability	Price	Qty
M770464-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$279.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

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	Para 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	P-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 para cresols. These are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4.
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	4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
INCHI	InChI=1S/C13H19BO3/c1-9-6-7-10(15)8-11(9)14-16-12(2,3)13(4,5)17-14/h6-8,15H,1-5H3
InChIKey	VYEXCFTWIDNOKN-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)O)C
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)O)C
PubChem CID	72219564
Molecular Weight	234.1

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

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

Analytical Chart:

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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