Ethyl 5-(4-formylphenyl)-2-thiophenecarboxylate - ≥95% , CAS No.850074-81-6

CAS: 850074-81-6 Cat. No.: E358245 Peso molecular: 260.31

GRADE & PURITY ≥95%

Synonyms

DTXSID30376967 | SCHEMBL1436688 | J-521065 | 12X-0704 | Ethyl5-(4-formylphenyl)thiophene-2-carboxylate | Ethyl 5-(4-formylphenyl)thiophene-2-carboxylate | AKOS005069646 | ethyl 5-(4-formylphenyl)-2-thiophenecarboxylate | MFCD06659536 | 2-Thiophenecarboxyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID30376967 | SCHEMBL1436688 | J-521065 | 12X-0704 | Ethyl5-(4-formylphenyl)thiophene-2-carboxylate | Ethyl 5-(4-formylphenyl)thiophene-2-carboxylate | AKOS005069646 | ethyl 5-(4-formylphenyl)-2-thiophenecarboxylate | MFCD06659536 | 2-Thiophenecarboxyl

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504761744
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761744
• Sonrisas canónicas: CCOC(=O)C1=CC=C(S1)C2=CC=C(C=C2)C=O
• IUPAC Name: ethyl 5-(4-formylphenyl)thiophene-2-carboxylate
• InChIKey: FLDQOSNQMGRVAL-UHFFFAOYSA-N
• INCHI: 1S/C14H12O3S/c1-2-17-14(16)13-8-7-12(18-13)11-5-3-10(9-15)4-6-11/h3-9H,2H2,1H3
• Isómeros SMILES: CCOC(=O)C1=CC=C(S1)C2=CC=C(C=C2)C=O
• Peso molecular: 260.31
• Reaxy-Rn: 18634914
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18634914&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thiophenes
• Subclass: Thiophene carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophene carboxylic acids and derivatives
• Alternative Parents: Benzoyl derivatives Benzaldehydes 2,5-disubstituted thiophenes Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Thiophene carboxylic acid or derivatives - Aryl-aldehyde - 2,5-disubstituted thiophene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aldehyde - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 260.310 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 260.051 Da
• Monoisotopic Mass: 260.051 Da
• Topological Polar Surface Area: 71.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 297.000
• 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