5-Ethyl-2-thiophenecarboxaldehyde - ≥98% , CAS No.36880-33-8

CAS: 36880-33-8 Cat. No.: E169952 Fórmula: C₇H₈OS Peso molecular: 140.2 Número CE: 253-252-0

GRADE & PURITY ≥98%

Synonyms

FT-0620377 | UNII-8I907X809K | BIDD:GT0099 | BBL040916 | 2-Ethyl-5-formylthiophene | AKOS000304486 | 5-ethyl-thiophene-2-carboxaldehyde | 5-Ethylthiophene-2-carboxaldehyde | SB66977 | SCHEMBL158329 | Z385369988 | EN300-56842 | STK400128 | UNII-0813BZ6866

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

5-Ethyl-2-thiophenecarboxaldehyde may be used in the preparation of 6-(butylamino)-2-(5-ethylthiophen-2-yl)-3-(4-fluorobenzyl)-2,3-dihydroquinazolin-4(1H)-one.

Specifications

Sinónimos

FT-0620377 | UNII-8I907X809K | BIDD:GT0099 | BBL040916 | 2-Ethyl-5-formylthiophene | AKOS000304486 | 5-ethyl-thiophene-2-carboxaldehyde | 5-Ethylthiophene-2-carboxaldehyde | SB66977 | SCHEMBL158329 | Z385369988 | EN300-56842 | STK400128 | UNII-0813BZ6866

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 528761304
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528761304
• Sorrisos canónicos: CCC1=CC=C(S1)C=O
• IUPAC Name: 5-ethylthiophene-2-carbaldehyde
• InChIKey: CLQXZICUPGZTPE-UHFFFAOYSA-N
• INCHI: 1S/C7H8OS/c1-2-6-3-4-7(5-8)9-6/h3-5H,2H2,1H3
• SMILES isoméricas: CCC1=CC=C(S1)C=O
• WGK Alemanha: 3
• Peso molecular: 140.2
• Reaxy-Rn: 108539
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108539&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Thiophenes
      • Subclass 2,5-disubstituted thiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Thiophenes
• Subclass: 2,5-disubstituted thiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-disubstituted thiophenes
• Alternative Parents: Aryl-aldehydes Heteroaromatic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted thiophene - Aryl-aldehyde - Heteroaromatic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions.
• 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

• Sensibilidade: Light sensitive；Moisture sensitive
• Índice de refração: 1.57
• Ponto de ebulição (°C): 65℃
• Peso molecular: 140.200 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 140.03 Da
• Monoisotopic Mass: 140.03 Da
• Topological Polar Surface Area: 45.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• 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