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2-(2,4-Dichlorophenyl)thiazole-4-carboxylic acid - 95%, high purity , CAS No.1094355-53-9

COA

Grade & Purity:

≥95%

Cas Number: 1094355-53-9
Molecular Weight: 274.12
PubChem CID: 43140175

In stock

Item Number

D189650

Grouped product items
SKU	Size	Availability	Price	Qty
D189650-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$308.90
D189650-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$738.90

Basic Description

Synonyms	2-(2,4-Dichlorophenyl)thiazole-4-carboxylic acid \| 1094355-53-9 \| 2-(2,4-dichlorophenyl)-1,3-thiazole-4-carboxylic acid \| 2-(2,4-Dichlorophenyl)thiazole-4-carboxylicacid \| MFCD07376332 \| SCHEMBL22637490 \| DTXSID30655502 \| AKOS008122048 \| DS-0247 \| SY106706 \| CS-0216737 \| EN300
Specifications & Purity	≥95%
Storage Temp	Room temperature
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	Dichlorobenzenes 2,4-disubstituted thiazoles Aryl chlorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Thiazolecarboxylic acid or derivatives - 1,3-dichlorobenzene - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organochloride - 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-(2,4-dichlorophenyl)-1,3-thiazole-4-carboxylic acid
INCHI	InChI=1S/C10H5Cl2NO2S/c11-5-1-2-6(7(12)3-5)9-13-8(4-16-9)10(14)15/h1-4H,(H,14,15)
InChIKey	BAMRISRVXZTIMQ-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1Cl)Cl)C2=NC(=CS2)C(=O)O
Isomeric SMILES	C1=CC(=C(C=C1Cl)Cl)C2=NC(=CS2)C(=O)O
Molecular Weight	274.12
Reaxy-Rn	29566960
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29566960&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	274.120 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	272.942 Da
Monoisotopic Mass	272.942 Da
Topological Polar Surface Area	78.400 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	280.000
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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