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

CAS: 37784-63-7 Cat. No.: E170003 Formule: C₈H₁₀O₂S Poids moléculaire: 170.23

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488190081

Sourires canoniques

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

Isomères SMILES

CCOC(=O)CC1=CSC=C1

WGK Allemagne

3

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Point d'éclair (°F): 217.4 °F
• Point d'éclair (°C): 103 °C
• Poids moléculaire: 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

Foire aux questions

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.