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benzo[d]thiazol-6-ylboronic acid - 97%, high purity , CAS No.499769-91-4

COA

Grade & Purity:

≥97%

Cas Number: 499769-91-4
Molecular Weight: 179.00
EC Number: 881-447-6
MDL number: MFCD05664651
PubChem CID: 4683196

In stock

Item Number

B635941

Grouped product items
SKU	Size	Availability	Price
B635941-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
B635941-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$32.90
B635941-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$119.90

View related series

Boric acid (41)

Basic Description

Synonyms	MFCD05664651 \| 1,3-Benzothiazol-6-ylboronic acid, AldrichCPR \| AB22393 \| C7H6BNO2S \| benzo[d]thiazol-6-ylboronic acid \| DTXSID30405529 \| SCHEMBL14905886 \| 6-Benzothiazoleboronic Acid \| EN300-221437 \| A7426 \| FT-0768062 \| 1,3-BENZOTHIAZOL-6-YLBORONIC ACID;
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,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 Benzothiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzothiazoles
Alternative Parents	Benzenoids Thiazoles Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic metalloid moeity - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one 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	1,3-benzothiazol-6-ylboronic acid
INCHI	InChI=1S/C7H6BNO2S/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4,10-11H
InChIKey	HGXFPSLIIZOVMB-UHFFFAOYSA-N
Smiles	B(C1=CC2=C(C=C1)N=CS2)(O)O
Isomeric SMILES	B(C1=CC2=C(C=C1)N=CS2)(O)O
Alternate CAS	499769-91-4
Molecular Weight	179.00

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
E2528268	Certificate of Analysis	Nov 27, 2024	B635941
E2528269	Certificate of Analysis	Nov 27, 2024	B635941
E2528270	Certificate of Analysis	Nov 27, 2024	B635941
E2528770	Certificate of Analysis	Nov 27, 2024	B635941
E2528771	Certificate of Analysis	Nov 27, 2024	B635941
E2528772	Certificate of Analysis	Nov 27, 2024	B635941

Chemical and Physical Properties

Molecular Weight	179.010 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	179.021 Da
Monoisotopic Mass	179.021 Da
Topological Polar Surface Area	81.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169.000
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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