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6-(Trifluoromethoxy)benzo[d]thiazole - 97%, high purity , CAS No.876500-72-0

COA

Grade & Purity:

≥97%

Cas Number: 876500-72-0
Molecular Weight: 219.18
PubChem CID: 53413127
PubChem SID: 488201618

In stock

Item Number

T578866

Grouped product items
SKU	Size	Availability	Price
T578866-250mg	250mg	3	$23.90
T578866-1g	1g	3	$43.90
T578866-5g	5g	5	$168.90
T578866-25g	25g	2	$669.90

Basic Description

Synonyms	6-(Trifluoromethoxy)benzo[d]thiazole \| 876500-72-0 \| 6-TRIFLUOROMETHOXYBENZOTHIAZOLE \| 6-(trifluoromethoxy)-1,3-benzothiazole \| MFCD06659654 \| 6-trifluoromethoxy benzothiazole \| SCHEMBL15281308 \| 6-(Trifluoromethoxy)benzothiazole \| DTXSID70696671 \| DHITZHCZUWQDBD-UHFFFAOYS
Specifications & Purity	≥97%
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	Phenol ethers Thiazoles Heteroaromatic compounds Trihalomethanes Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,3-benzothiazole - Phenol ether - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Trihalomethane - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Halomethane - Alkyl halide - 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	488201618
IUPAC Name	6-(trifluoromethoxy)-1,3-benzothiazole
INCHI	InChI=1S/C8H4F3NOS/c9-8(10,11)13-5-1-2-6-7(3-5)14-4-12-6/h1-4H
InChIKey	DHITZHCZUWQDBD-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1OC(F)(F)F)SC=N2
Isomeric SMILES	C1=CC2=C(C=C1OC(F)(F)F)SC=N2
PubChem CID	53413127
Molecular Weight	219.18

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.

8 results found

Lot Number	Certificate Type	Date	Item
E2318491	Certificate of Analysis	Apr 13, 2023	T578866
E2318509	Certificate of Analysis	Apr 13, 2023	T578866
E2318484	Certificate of Analysis	Apr 13, 2023	T578866
E2318476	Certificate of Analysis	Apr 13, 2023	T578866
E2318512	Certificate of Analysis	Apr 13, 2023	T578866
E2318524	Certificate of Analysis	Apr 13, 2023	T578866
E2318499	Certificate of Analysis	Apr 13, 2023	T578866
E2318488	Certificate of Analysis	Apr 13, 2023	T578866

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Molecular Weight	219.190 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	218.997 Da
Monoisotopic Mass	218.997 Da
Topological Polar Surface Area	50.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	211.000
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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