Ethyl 2-thiophenecarboxylate - ≥99% , CAS No.2810-04-0

CAS: 2810-04-0 Cat. No.: E113851 Formule: C₇H₈O₂S Poids moléculaire: 156.2 Beilstein Registry Number: 18289 Numéro CE: 220-554-9

GRADE & PURITY ≥99%

Synonyms

AKOS008947879 | Ethyl-thiophene-2-carboxylate | AS-59780 | Ethyl thiophene-2-carboxylate | JE4R4NBV2R | Estofil Blue S-RBL | Thiophenecarboxylic acid, ethyl ester | 3-ethylthiophene-2-carboxylate | Ethyl 2-thenoate | InChI=1/C7H8O2S/c1-2-9-7(8)6-4-3-5-10-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

AKOS008947879 | Ethyl-thiophene-2-carboxylate | AS-59780 | Ethyl thiophene-2-carboxylate | JE4R4NBV2R | Estofil Blue S-RBL | Thiophenecarboxylic acid, ethyl ester | 3-ethylthiophene-2-carboxylate | Ethyl 2-thenoate | InChI=1/C7H8O2S/c1-2-9-7(8)6-4-3-5-10-

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

• Pubchem Sid: 488185206
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185206
• Sourires canoniques: CCOC(=O)C1=CC=CS1
• IUPAC Name: ethyl thiophene-2-carboxylate
• InChIKey: JZGZKRJVTIRPOK-UHFFFAOYSA-N
• INCHI: 1S/C7H8O2S/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
• Isomères SMILES: CCOC(=O)C1=CC=CS1
• WGK Allemagne: 3
• Poids moléculaire: 156.2
• Beilstein: 18289
• Reaxy-Rn: 112678
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112678&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Thiophenes
• Subclass: Thiophene carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophene carboxylic acids and derivatives
• Alternative Parents: Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiophene carboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiophene carboxylic acids and derivatives. These are compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester 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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive
• Indice de réfraction: 1.525-1.527
• Point d'éclair (°F): 192.2 °F
• Point d'éclair (°C): 88℃
• Point d'ébullition (°C): 218°C
• Poids moléculaire: 156.200 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 156.025 Da
• Monoisotopic Mass: 156.025 Da
• Topological Polar Surface Area: 54.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• 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 ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 2810-04-0, the molecular formula is C7H8O2S, and the molecular weight is 156.2 g/mol. InChIKey JZGZKRJVTIRPOK-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.