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6-Chloro-2(3H)-benzothiazolone - 97%, high purity , CAS No.62266-81-3

COA

Grade & Purity:

≥97%

Cas Number: 62266-81-3
Molecular Weight: 185.63
PubChem CID: 188443
PubChem SID: 504757747

In stock

Item Number

C194248

Grouped product items
SKU	Size	Availability	Price
C194248-250mg	250mg	3	$16.90
C194248-1g	1g	4	$46.90
C194248-5g	5g	2	$192.90
C194248-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$655.90

Basic Description

Synonyms	62266-81-3 \| 6-Chlorobenzo[d]thiazol-2(3H)-one \| 6-chloro-3H-benzothiazol-2-one \| 2(3H)-Benzothiazolone, 6-chloro- \| 6-Choro-2(3H)-benzothiazolone \| 6-chloro-3H-1,3-benzothiazol-2-one \| 6-CHLORO-1,3-BENZOTHIAZOL-2-OL \| 6-Chloro-2-hydroxy benzothiazol \| 6-Chloro-3H-benzot
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

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 Aryl chlorides Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,3-benzothiazole - Aryl chloride - Aryl halide - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Azacycle - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - 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

Pubchem Sid	504757747
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504757747
IUPAC Name	6-chloro-3H-1,3-benzothiazol-2-one
INCHI	InChI=1S/C7H4ClNOS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
InChIKey	PUQHEPFUBPHTCG-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1Cl)SC(=O)N2
Isomeric SMILES	C1=CC2=C(C=C1Cl)SC(=O)N2
Molecular Weight	185.63
Reaxy-Rn	135521
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135521&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
K2118236	Certificate of Analysis	Sep 11, 2024	C194248
K2118240	Certificate of Analysis	Sep 11, 2024	C194248
K2118369	Certificate of Analysis	Sep 11, 2024	C194248
K2118370	Certificate of Analysis	Sep 11, 2024	C194248

Chemical and Physical Properties

Molecular Weight	185.630 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	184.97 Da
Monoisotopic Mass	184.97 Da
Topological Polar Surface Area	54.400 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	187.000
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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