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Ethyl 2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate - 95%, high purity , CAS No.132089-39-5

COA

Grade & Purity:

≥95%

Cas Number: 132089-39-5
Molecular Weight: 301.3
PubChem CID: 2744219

In stock

Item Number

E181165

Grouped product items
SKU	Size	Availability	Price	Qty
E181165-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,045.90

Basic Description

Synonyms	ethyl 2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate \| 132089-39-5 \| ETHYL 2-(3-(TRIFLUOROMETHYL)PHENYL)THIAZOLE-4-CARBOXYLATE \| Bionet2_000022 \| SCHEMBL1198735 \| CHEMBL2147753 \| DTXSID701198805 \| HMS1364A22 \| MFCD00142038 \| AKOS005069600 \| 12F-395S \| A806368 \| Ethyl 2
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Trifluoromethylbenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Thiazolecarboxylic acids and derivatives 2,4-disubstituted thiazoles Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Trifluoromethylbenzene - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Azole - Thiazole - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alkyl halide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	ethyl 2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
INCHI	InChI=1S/C13H10F3NO2S/c1-2-19-12(18)10-7-20-11(17-10)8-4-3-5-9(6-8)13(14,15)16/h3-7H,2H2,1H3
InChIKey	ZPJJUAUWQRNPQZ-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CSC(=N1)C2=CC(=CC=C2)C(F)(F)F
Isomeric SMILES	CCOC(=O)C1=CSC(=N1)C2=CC(=CC=C2)C(F)(F)F
Molecular Weight	301.3
Reaxy-Rn	20962754
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20962754&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	301.290 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	301.038 Da
Monoisotopic Mass	301.038 Da
Topological Polar Surface Area	67.400 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	351.000
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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