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4-Mercaptophenylboronic acid pinacol ester - 98%, high purity , CAS No.1029438-23-0

COA

Grade & Purity:

≥98%

Cas Number: 1029438-23-0
Molecular Weight: 236.14
PubChem CID: 57655517

In stock

Item Number

T302099

Grouped product items
SKU	Size	Availability	Price
T302099-100mg	100mg	2	$30.90
T302099-250mg	250mg	2	$36.90
T302099-1g	1g	2	$118.90
T302099-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$566.90

Basic Description

Synonyms	4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenethiol
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 Thiophenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Thiophenols
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thiophenols
Alternative Parents	Benzene and substituted derivatives Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Thiols Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Thiophenol - Monocyclic benzene moiety - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Arylthiol - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.
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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenethiol
INCHI	InChI=1S/C12H17BO2S/c1-11(2)12(3,4)15-13(14-11)9-5-7-10(16)8-6-9/h5-8,16H,1-4H3
InChIKey	RQGLRPJSYBTXLH-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)S
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)S
PubChem CID	57655517
Molecular Weight	236.14

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.

6 results found

Lot Number	Certificate Type	Date	Item
L2322111	Certificate of Analysis	Nov 29, 2023	T302099
L2322112	Certificate of Analysis	Nov 29, 2023	T302099
L2322114	Certificate of Analysis	Nov 29, 2023	T302099
L2322116	Certificate of Analysis	Nov 29, 2023	T302099
L2322118	Certificate of Analysis	Nov 29, 2023	T302099
L2322119	Certificate of Analysis	Nov 29, 2023	T302099

Chemical and Physical Properties

Molecular Weight	236.140 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	236.104 Da
Monoisotopic Mass	236.104 Da
Topological Polar Surface Area	19.500 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	244.000
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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