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5-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid - 97%, high purity , CAS No.900530-68-9

COA

Grade & Purity:

≥97%

Cas Number: 900530-68-9
Molecular Weight: 197.13
EC Number: 823-234-2
MDL number: MFCD09991771
PubChem CID: 28875573

In stock

Item Number

T635035

Grouped product items
SKU	Size	Availability	Price
T635035-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$142.90
T635035-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$227.90
T635035-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$379.90
T635035-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$569.90
T635035-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,851.90

Basic Description

Synonyms	5-(Trifluoromethyl)-1,3-thiazole-4-carboxylic acid \| 900530-68-9 \| 5-(Trifluoromethyl)thiazole-4-carboxylic acid \| 5-Trifluoromethyl-thiazole-4-carboxylic acid \| SCHEMBL5117622 \| MFCD09991771 \| AKOS006314764 \| SB39727 \| TS-02790 \| 5-(Trifluoromethyl)thiaz
Specifications & Purity	≥97%
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	4,5-disubstituted thiazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Thiazolecarboxylic acid or derivatives - 4,5-disubstituted 1,3-thiazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Alkyl halide - Organic oxide - Hydrocarbon derivative - 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	5-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
INCHI	InChI=1S/C5H2F3NO2S/c6-5(7,8)3-2(4(10)11)9-1-12-3/h1H,(H,10,11)
InChIKey	MESLCUOAZZCUOE-UHFFFAOYSA-N
Smiles	C1=NC(=C(S1)C(F)(F)F)C(=O)O
Isomeric SMILES	C1=NC(=C(S1)C(F)(F)F)C(=O)O
Alternate CAS	900530-68-9
PubChem CID	28875573
Molecular Weight	197.13

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	197.140 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	196.976 Da
Monoisotopic Mass	196.976 Da
Topological Polar Surface Area	78.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	196.000
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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