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Ethyl 2-bromo-6-benzothiazolecarboxylate - 95%, high purity , CAS No.99073-88-8

COA

Grade & Purity:

≥95%

Cas Number: 99073-88-8
Molecular Weight: 286.1
PubChem CID: 12067225

In stock

Item Number

E188946

Grouped product items
SKU	Size	Availability	Price
E188946-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$10.90
E188946-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$42.90
E188946-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$65.90
E188946-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$283.90

Discover Ethyl 2-bromo-6-benzothiazolecarboxylate by Aladdin Scientific in 95% for only $10.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Ethyl 2-bromo-6-benzothiazolecarboxylate \| 99073-88-8 \| ethyl 2-bromobenzo[d]thiazole-6-carboxylate \| ethyl 2-bromo-1,3-benzothiazole-6-carboxylate \| 2-bromo-6-ethoxycarbonylbenzothiazole \| 2-Bromo-benzothiazole-6-carboxylic acid ethyl ester \| MFCD08669850 \| Ethyl2-Bro
Specifications & Purity	≥95%
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 bromides Thiazoles Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,3-benzothiazole - Aryl bromide - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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	ethyl 2-bromo-1,3-benzothiazole-6-carboxylate
INCHI	InChI=1S/C10H8BrNO2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3
InChIKey	JQZQKEZCRZNJPC-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC2=C(C=C1)N=C(S2)Br
Isomeric SMILES	CCOC(=O)C1=CC2=C(C=C1)N=C(S2)Br
Molecular Weight	286.1
Reaxy-Rn	185115
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=185115&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	286.150 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	284.946 Da
Monoisotopic Mass	284.946 Da
Topological Polar Surface Area	67.400 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	252.000
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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