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5-Bromo-6-fluorobenzo[c][1,2,5]thiadiazole - 98%, high purity , CAS No.1242336-51-1

COA

Grade & Purity:

≥98%

Cas Number: 1242336-51-1
Molecular Weight: 233.06
PubChem CID: 53216850

In stock

Item Number

B180507

Grouped product items
SKU	Size	Availability	Price
B180507-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$45.90
B180507-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$108.90
B180507-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$359.90

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Aromatic heterocyclic compounds (462) Molecular block (319)

Basic Description

Synonyms	A890556 \| 5-bromo-6-fluoro-2,1,3-benzothiadiazole \| BS-19591 \| DTXSID30681982 \| MFCD16660290 \| 5-Bromo-6-fluorobenzo[c][1,2,5]thiadiazole \| ASAVGHCROROMLC-UHFFFAOYSA-N \| SCHEMBL16029500 \| AKOS015835419 \| CS-0443295 \| 1242336-51-1 \| 2,1,3-Benzothiadiazole,
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
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 Benzothiadiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiadiazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzothiadiazoles
Alternative Parents	Benzenoids Aryl fluorides Aryl bromides Thiadiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	2,1,3-benzothiadiazole - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - Heteroaromatic compound - Azole - Thiadiazole - Azacycle - Organobromide - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organofluoride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzothiadiazoles. These are heterocyclic aromatic compounds containing a benzene ring fused to a thiadiazole ring. Thiadiazole is a five-membered aromatic heterocycle made up of one sulfur atom and two nitrogen atoms.
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-bromo-6-fluoro-2,1,3-benzothiadiazole
INCHI	InChI=1S/C6H2BrFN2S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H
InChIKey	ASAVGHCROROMLC-UHFFFAOYSA-N
Smiles	C1=C(C(=CC2=NSN=C21)Br)F
Isomeric SMILES	C1=C(C(=CC2=NSN=C21)Br)F
Molecular Weight	233.06
Reaxy-Rn	27185906
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27185906&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	233.060 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	231.911 Da
Monoisotopic Mass	231.911 Da
Topological Polar Surface Area	54.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	160.000
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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