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2-Bromo-4-fluorobenzo[d]thiazole - 98%, high purity , CAS No.887580-83-8

COA

Grade & Purity:

≥98%

Cas Number: 887580-83-8
Molecular Weight: 232.07
PubChem CID: 24728636

In stock

Item Number

B578740

Grouped product items
SKU	Size	Availability	Price
B578740-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$608.90
B578740-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$868.90
B578740-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,044.90

Basic Description

Synonyms	2-bromo-4-fluorobenzo[d]thiazole \| 887580-83-8 \| 2-Bromo-4-fluoro-benzothiazole \| 2-BROMO-4-FLUORO-1,3-BENZOTHIAZOLE \| 2-Bromo-4-fluorobenzothiazole \| SCHEMBL3077601 \| DTXSID00646447 \| MFCD03840821 \| AKOS015960865 \| AB16679 \| CS-16772 \| SY069357 \| CS-0103363 \| D76348
Specifications & Purity	≥98%
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 Aryl fluorides Aryl bromides Thiazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,3-benzothiazole - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organohalogen compound - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organobromide - 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	2-bromo-4-fluoro-1,3-benzothiazole
INCHI	InChI=1S/C7H3BrFNS/c8-7-10-6-4(9)2-1-3-5(6)11-7/h1-3H
InChIKey	JLDVXRWNVDMWQO-UHFFFAOYSA-N
Smiles	C1=CC(=C2C(=C1)SC(=N2)Br)F
Isomeric SMILES	C1=CC(=C2C(=C1)SC(=N2)Br)F
Molecular Weight	232.07
Reaxy-Rn	32730360
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32730360&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	232.070 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	230.915 Da
Monoisotopic Mass	230.915 Da
Topological Polar Surface Area	41.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	157.000
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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