Ethyl 3-thiopheneacetate - ≥98% , CAS No.37784-63-7

CAS: 37784-63-7 Cat. No.: E170003 Fórmula: C₈H₁₀O₂S Peso molecular: 170.23

GRADE & PURITY ≥98%

Synonyms

ethyl 2-(thiophen-3-yl)acetate | SCHEMBL359468 | 3-thiophenyl acetic acid ethyl ester | EINECS 253-665-6 | EN300-264208 | ethyl 2-thiophen-3-ylacetate | BIDD:GT0101 | Ethyl 3-thienylacetate # | CHEBI:194787 | Ethyl 2-(3-thienyl)ethanoate | 3-Thiopheneacet

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

ethyl 2-(thiophen-3-yl)acetate | SCHEMBL359468 | 3-thiophenyl acetic acid ethyl ester | EINECS 253-665-6 | EN300-264208 | ethyl 2-thiophen-3-ylacetate | BIDD:GT0101 | Ethyl 3-thienylacetate # | CHEBI:194787 | Ethyl 2-(3-thienyl)ethanoate | 3-Thiopheneacet

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488190081
• Sorrisos canónicos: CCOC(=O)CC1=CSC=C1
• IUPAC Name: ethyl 2-thiophen-3-ylacetate
• InChIKey: FZBNQIWPYCUPAP-UHFFFAOYSA-N
• INCHI: 1S/C8H10O2S/c1-2-10-8(9)5-7-3-4-11-6-7/h3-4,6H,2,5H2,1H3
• SMILES isoméricas: CCOC(=O)CC1=CSC=C1
• WGK Alemanha: 3
• Peso molecular: 170.23
• Reaxy-Rn: 122555
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=122555&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Thiophenes Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• 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

Propriedades químicas e físicas

• Ponto de inflamação (°F): 217.4 °F
• Ponto de inflamação (°C): 103 °C
• Peso molecular: 170.230 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 170.04 Da
• Monoisotopic Mass: 170.04 Da
• Topological Polar Surface Area: 54.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% 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 37784-63-7, the molecular formula is C8H10O2S, and the molecular weight is 170.23 g/mol. InChIKey FZBNQIWPYCUPAP-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.