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5-(4，4，5，5-Tetramethyl-1，3，2-dioxaborolan-2-yl)thiophene-3-carbonitrile - ≥95%, high purity , CAS No.916454-59-6

COA

Grade & Purity:

≥95%

Cas Number: 916454-59-6
Molecular Weight: 235.11
PubChem CID: 53398053

In stock

Item Number

T733413

Grouped product items
SKU	Size	Availability	Price	Qty
T733413-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$844.90
T733413-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,425.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Boronic acid derivatives
    - Subclass Boronic acid esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Boronic acid derivatives
Subclass	Boronic acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Boronic acid esters
Alternative Parents	Thiophenes Heteroaromatic compounds Dioxaborolanes Oxacyclic compounds Organic metalloid salts Nitriles Organopnictogen compounds Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Boronic acid ester - 1,3,2-dioxaborolane - Thiophene - Heteroaromatic compound - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic metalloid salt - Oxacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as boronic acid esters. These are compounds comprising the boronic acid ester functional group RN(X)OR' (R,R'=alkyl, aryl; X= any O, N, Hal residue).
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	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carbonitrile
INCHI	InChI=1S/C11H14BNO2S/c1-10(2)11(3,4)15-12(14-10)9-5-8(6-13)7-16-9/h5,7H,1-4H3
InChIKey	OXYRAUHWTSONAV-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CS2)C#N
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CS2)C#N
PubChem CID	53398053
Molecular Weight	235.11

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	235.110 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	235.084 Da
Monoisotopic Mass	235.084 Da
Topological Polar Surface Area	70.500 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	320.000
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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