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Benzothiophene-4-boronic acid pinacol ester - 95%, high purity , CAS No.1000160-75-7

COA

Grade & Purity:

≥95%

Cas Number: 1000160-75-7
Molecular Weight: 260.16
PubChem CID: 56973026
PubChem SID: 504771530

In stock

Item Number

B358844

Grouped product items
SKU	Size	Availability	Price
B358844-100mg	100mg	3	$288.90
B358844-500mg	500mg	3	$1,143.90
B358844-1g	1g	3	$1,973.90

Basic Description

Synonyms	1000160-75-7 \| BENZOTHIOPHENE-4-BORONIC ACID PINACOL ESTER \| 2-(BENZO[B]THIOPHEN-4-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE \| 2-(1-benzothiophen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane \| BENZO[B]THIOPHEN-4-YLBORONIC ACID PINACOL ESTER \| MFCD13619876 \| SCHEMB
Specifications & Purity	≥95%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzothiophenes
    - Subclass 1-benzothiophenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiophenes
Subclass	1-benzothiophenes
Intermediate Tree Nodes	Not available
Direct Parent	1-benzothiophenes
Alternative Parents	Benzenoids Thiophenes Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1-benzothiophene - Benzenoid - Heteroaromatic compound - Thiophene - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
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	504771530
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771530
IUPAC Name	2-(1-benzothiophen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
INCHI	InChI=1S/C14H17BO2S/c1-13(2)14(3,4)17-15(16-13)11-6-5-7-12-10(11)8-9-18-12/h5-9H,1-4H3
InChIKey	KQTHIDLDBILMSE-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=C3C=CSC3=CC=C2
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=C3C=CSC3=CC=C2
Molecular Weight	260.16
Reaxy-Rn	32771145
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32771145&ln=

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

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Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
F2214649	Certificate of Analysis	Mar 03, 2025	B358844
F2214702	Certificate of Analysis	Mar 03, 2025	B358844
F2214703	Certificate of Analysis	Mar 03, 2025	B358844

Chemical and Physical Properties

Molecular Weight	260.200 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	260.104 Da
Monoisotopic Mass	260.104 Da
Topological Polar Surface Area	46.700 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	316.000
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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