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

CAS: 37784-63-7 Cat. No.: E170003 Summenformel: C₈H₁₀O₂S Molekulargewicht: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488190081
• Kanonisches Lächeln: 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
• Isomere SMILES: CCOC(=O)CC1=CSC=C1
• WGK Deutschland: 3
• Molekulargewicht: 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
    • Klasse Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 217.4 °F
• Flammpunkt (°C): 103 °C
• Molekulargewicht: 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

Häufig gestellte Fragen

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.