1-methyl-1H-imidazole-5-carbaldehyde - ≥97% , CAS No.39021-62-0

CAS: 39021-62-0 Cat. No.: M134143 Peso molecular: 110.11 Número EC: 626-778-7

GRADE & PURITY ≥97%

Synonyms

1-Methyl-1H-imidazole-5-carbaldehyde # | Z1065768466 | 1-Methyl-1H-imidazole-5-carboxaldehyde | 2-Chloroethanol 1000 microg/mL in Methanol | w-Aminobutyrate | HY-W013636 | 1-methyl-imidazole-5-carbaldehyde | 3-methyl-3h-imidazole-4-carboxaldehyde | Q-1031

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-Methyl-1H-imidazole-5-carbaldehyde # | Z1065768466 | 1-Methyl-1H-imidazole-5-carboxaldehyde | 2-Chloroethanol 1000 microg/mL in Methanol | w-Aminobutyrate | HY-W013636 | 1-methyl-imidazole-5-carbaldehyde | 3-methyl-3h-imidazole-4-carboxaldehyde | Q-1031

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504759317
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759317
• Sonrisas canónicas: CN1C=NC=C1C=O
• IUPAC Name: 3-methylimidazole-4-carbaldehyde
• InChIKey: BNYKZFOZWZMEJD-UHFFFAOYSA-N
• INCHI: 1S/C5H6N2O/c1-7-4-6-2-5(7)3-8/h2-4H,1H3
• Isómeros SMILES: CN1C=NC=C1C=O
• WGK Alemania: 3
• Peso molecular: 110.11
• Reaxy-Rn: 109955
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109955&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Carbonylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Carbonylimidazoles
• Alternative Parents: Aryl-aldehydes N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Imidazole-4-carbonyl group - N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbonylimidazoles. These are substituted imidazoles in which the imidazole ring bears a carbonyl group.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Punto de fusión (°C): 52-57°C
• Peso molecular: 110.110 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 110.048 Da
• Monoisotopic Mass: 110.048 Da
• Topological Polar Surface Area: 34.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 94.400
• 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

Referencias

1. Hang Ao, Wencheng Xiao, Weiwei Chen, Wenrui Hu, Jie Wu, Huangxian Ju.  (2025)  A Microcavity Chemiluminescent Immunoimaging Protocol for Fast in Situ Detection of Antibody Secreted from Single Hybridoma Cells.  Small Methods,      [PMID:40545858] [10.1002/smtd.202500656]