Ethyl 2-(2,4-dichlorophenyl)thiazole-4-carboxylate - ≥95% , CAS No.1185155-89-8

CAS: 1185155-89-8 Cat. No.: E179867 Summenformel: C₁₂H₉Cl₂NO₂S Molekulargewicht: 302.2

GRADE & PURITY ≥95%

Synonyms

2-(2,4-dichlorophenyl)-4-Thiazolecarboxylic acid ethyl ester | Ethyl 2-(2,4-dichlorophenyl)thiazole-4-carboxylate | SCHEMBL20241724 | MFCD09743715 | AKOS015850071 | SY106705 | Ethyl2-(2,4-dichlorophenyl)thiazole-4-carboxylate | FT-0715845 | 2-(2,4-Dichlor

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-(2,4-dichlorophenyl)-4-Thiazolecarboxylic acid ethyl ester | Ethyl 2-(2,4-dichlorophenyl)thiazole-4-carboxylate | SCHEMBL20241724 | MFCD09743715 | AKOS015850071 | SY106705 | Ethyl2-(2,4-dichlorophenyl)thiazole-4-carboxylate | FT-0715845 | 2-(2,4-Dichlor

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

CCOC(=O)C1=CSC(=N1)C2=C(C=C(C=C2)Cl)Cl

IUPAC Name

ethyl 2-(2,4-dichlorophenyl)-1,3-thiazole-4-carboxylate

InChIKey

XJSLIJXHNXGMOL-UHFFFAOYSA-N

INCHI

1S/C12H9Cl2NO2S/c1-2-17-12(16)10-6-18-11(15-10)8-4-3-7(13)5-9(8)14/h3-6H,2H2,1H3

Isomere SMILES

CCOC(=O)C1=CSC(=N1)C2=C(C=C(C=C2)Cl)Cl

Molekulargewicht

302.2

Reaxy-Rn

27151586

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27151586&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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 acid esters 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 ester - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Data sources

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 302.200 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 300.973 Da
• Monoisotopic Mass: 300.973 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 306.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1185155-89-8, the molecular formula is C12H9Cl2NO2S, and the molecular weight is 302.2 g/mol. InChIKey XJSLIJXHNXGMOL-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.