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2-Chloro-4-(trifluoromethyl)thiazole-5-carboxylic acid - 97%, high purity , CAS No.72850-61-4

COA

Grade & Purity:

≥97%

Cas Number: 72850-61-4
Molecular Weight: 231.58
PubChem CID: 13282743

In stock

Item Number

C578915

Grouped product items
SKU	Size	Availability	Price
C578915-100mg	100mg	3	$391.90
C578915-250mg	250mg	2	$628.90
C578915-1g	1g	2	$1,668.90

Basic Description

Synonyms	72850-61-4 \| 2-CHLORO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLIC ACID \| 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid \| 2-Chloro-4-(trifluoromethyl)-thiazole-5-carboxylic acid \| C5HClF3NO2S \| 5-Thiazolecarboxylic acid, 2-chloro-4-(trifluoromethyl)- \| SCHE
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
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 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 chlorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2,4,5-trisubstituted 1,3-thiazole - Thiazolecarboxylic acid or derivatives - Aryl chloride - Aryl halide - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - 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	2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
INCHI	InChI=1S/C5HClF3NO2S/c6-4-10-2(5(7,8)9)1(13-4)3(11)12/h(H,11,12)
InChIKey	OGZUWSFEZCBGPH-UHFFFAOYSA-N
Smiles	C1(=C(N=C(S1)Cl)C(F)(F)F)C(=O)O
Isomeric SMILES	C1(=C(N=C(S1)Cl)C(F)(F)F)C(=O)O
Molecular Weight	231.58
Reaxy-Rn	985947
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=985947&ln=

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

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
A2408736	Certificate of Analysis	Nov 29, 2023	C578915
A2408737	Certificate of Analysis	Nov 29, 2023	C578915
A2408738	Certificate of Analysis	Nov 29, 2023	C578915
A2408739	Certificate of Analysis	Nov 29, 2023	C578915
A2408740	Certificate of Analysis	Nov 29, 2023	C578915
A2408741	Certificate of Analysis	Nov 29, 2023	C578915

Chemical and Physical Properties

Molecular Weight	231.580 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	230.937 Da
Monoisotopic Mass	230.937 Da
Topological Polar Surface Area	78.400 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	224.000
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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