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4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide - 97%, high purity , CAS No.957345-71-0

COA

Grade & Purity:

≥97%

Cas Number: 957345-71-0
Molecular Weight: 253.13
PubChem CID: 57590007

In stock

Item Number

T590853

Grouped product items
SKU	Size	Availability	Price	Qty
T590853-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$65.90
T590853-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$295.90

Basic Description

Synonyms	SCHEMBL1475456 \| 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide \| BOZJXIOCLZXZSX-UHFFFAOYSA-N \| DTXSID701155233 \| F75037 \| 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-thiophene-2-carboxylic acid amide \| 4-(4,4,5,5-Tetramethyl-
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Protected from light,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 Organoheterocyclic compounds
  - Class Thiophenes
    - Subclass Thiophene carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thiophenes
Subclass	Thiophene carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Thiophene carboxamides
Alternative Parents	2-heteroaryl carboxamides Heteroaromatic compounds Dioxaborolanes Boronic acid esters Primary carboxylic acid amides Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-heteroaryl carboxamide - Thiophene carboxamide - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Boronic acid derivative - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Organic metalloid salt - Oxacycle - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.
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)thiophene-2-carboxamide
INCHI	InChI=1S/C11H16BNO3S/c1-10(2)11(3,4)16-12(15-10)7-5-8(9(13)14)17-6-7/h5-6H,1-4H3,(H2,13,14)
InChIKey	BOZJXIOCLZXZSX-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CSC(=C2)C(=O)N
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CSC(=C2)C(=O)N
PubChem CID	57590007
Molecular Weight	253.13

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	253.130 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	253.094 Da
Monoisotopic Mass	253.094 Da
Topological Polar Surface Area	89.800 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	319.000
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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