3-metiltiofeno-2-carboxaldehído - ≥85%(GC) , CAS No.5834-16-2

CAS: 5834-16-2 Cat. No.: M157936 Peso molecular: 126.17 Beilstein Registry Number: 107874 Número EC: 227-418-8

GRADE & PURITY ≥85%(GC)

Synonyms

3-Methyl-2-thiophenecarboxaldehyde, tech grade | thiophene, 3-Methyl, 2-formyl | UNII-ZHC9WE8PS0 | AM20100422 | SCHEMBL447131 | 3-methyl-thiophene-2-carbaldehyde | 3-Methylthiophene-2-carbaldehyde | MORANTEL HYDROGEN TARTRATE IMPURITY E [EP IMPURITY] | 3-

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

se utilizó 3-metiltiofeno-2-carboxaldehído en la síntesis de 2,3-dimetil-5-(2,6,10-trimetilundecil)tiofeno. Se utilizó para investigar la capacidad de bioconversión versátil de la levadura de panadería para la generación de tioles a partir de conjugados cisteína-aldehído.

Specifications

Sinónimos

3-Methyl-2-thiophenecarboxaldehyde, tech grade | thiophene, 3-Methyl, 2-formyl | UNII-ZHC9WE8PS0 | AM20100422 | SCHEMBL447131 | 3-methyl-thiophene-2-carbaldehyde | 3-Methylthiophene-2-carbaldehyde | MORANTEL HYDROGEN TARTRATE IMPURITY E [EP IMPURITY] | 3-

Especificaciones y pureza

≥85%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥85%(GC)

Nombres e identificadores

• Pubchem Sid: 488185800
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185800
• Sonrisas canónicas: CC1=C(SC=C1)C=O
• IUPAC Name: 3-methylthiophene-2-carbaldehyde
• InChIKey: BSQKBHXYEKVKMN-UHFFFAOYSA-N
• INCHI: 1S/C6H6OS/c1-5-2-3-8-6(5)4-7/h2-4H,1H3
• Isómeros SMILES: CC1=C(SC=C1)C=O
• WGK Alemania: 3
• Peso molecular: 126.17
• Beilstein: 107874
• Reaxy-Rn: 107874
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107874&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Aryl-aldehydes
• Alternative Parents: Thiophenes Heteroaromatic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring.
• 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

• Solubilidad: Insoluble in water
• Sensibilidad: Air sensitive
• Índice de refracción: 1.5870
• Punto de inflamación (°F): 179.6 °F
• Punto de inflamación (°C): 82 °C
• Punto de ebullición (°C): 215°
• Peso molecular: 126.180 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.014 Da
• Monoisotopic Mass: 126.014 Da
• Topological Polar Surface Area: 45.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 92.500
• 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