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Ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate - 98%, high purity , CAS No.72850-79-4

COA

Grade & Purity:

≥98%

Cas Number: 72850-79-4
Molecular Weight: 304.1
PubChem CID: 13282759

In stock

Item Number

E186283

Grouped product items
SKU	Size	Availability	Price	Qty
E186283-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$67.90
E186283-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$312.90

Discover Ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate by Aladdin Scientific in 98% for only $67.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	72850-79-4 \| Ethyl 2-bromo-4-(trifluoromethyl)thiazole-5-carboxylate \| Ethyl 2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate \| MFCD08166749 \| ethyl 2-bromo-4-trifluoromethylthiazole-5-carboxylate \| 2-bromo-4-(trifluoromethyl)thiazole-5-carboxylic acid ethyl
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Thiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Thiazoles
Intermediate Tree Nodes	Not available
Direct Parent	Thiazolecarboxylic acids and derivatives
Alternative Parents	2,4,5-trisubstituted thiazoles Aryl bromides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2,4,5-trisubstituted 1,3-thiazole - Thiazolecarboxylic acid or derivatives - Aryl bromide - Aryl halide - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiazolecarboxylic acids and derivatives. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid group (or a derivative thereof).
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-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
INCHI	InChI=1S/C7H5BrF3NO2S/c1-2-14-5(13)3-4(7(9,10)11)12-6(8)15-3/h2H2,1H3
InChIKey	XPAISTXWPBHIMZ-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=C(N=C(S1)Br)C(F)(F)F
Isomeric SMILES	CCOC(=O)C1=C(N=C(S1)Br)C(F)(F)F
Molecular Weight	304.1
Reaxy-Rn	996370
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=996370&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	304.090 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	302.918 Da
Monoisotopic Mass	302.918 Da
Topological Polar Surface Area	67.400 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	251.000
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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