Benzofurano-5-carbaldehído - ≥98% , CAS No.10035-16-2

CAS: 10035-16-2 Cat. No.: B189275 Peso molecular: 146.14 Número EC: 674-714-1

GRADE & PURITY ≥98%

Synonyms

5-formylbenzo[b]furan | 5-BENZOFURANCARBOXALDEHYDE | benzofuran-5-carboxaldehyde | 1-benzofuran-5-carbaldehyde, AldrichCPR | BB 0259388 | LLLBDLDNTMMZHL-UHFFFAOYSA-N | MB02725 | benzo[b]furan-5-carbaldehyde | FT-0636620 | AKOS006229020 | BDBM50037779 | MF

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

5-formylbenzo[b]furan | 5-BENZOFURANCARBOXALDEHYDE | benzofuran-5-carboxaldehyde | 1-benzofuran-5-carbaldehyde, AldrichCPR | BB 0259388 | LLLBDLDNTMMZHL-UHFFFAOYSA-N | MB02725 | benzo[b]furan-5-carbaldehyde | FT-0636620 | AKOS006229020 | BDBM50037779 | MF

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488193553
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193553
• Sonrisas canónicas: C1=CC2=C(C=CO2)C=C1C=O
• IUPAC Name: 1-benzofuran-5-carbaldehyde
• InChIKey: LLLBDLDNTMMZHL-UHFFFAOYSA-N
• INCHI: 1S/C9H6O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-6H
• Isómeros SMILES: C1=CC2=C(C=CO2)C=C1C=O
• Peso molecular: 146.14
• Reaxy-Rn: 1635752
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1635752&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofurans
• Alternative Parents: Aryl-aldehydes Benzenoids Heteroaromatic compounds Furans Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzofuran - Aryl-aldehyde - Benzenoid - Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
• 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

Objetivos asociados (humanos)

CYP2A6 Tchem Cytochrome P450 2A6 (3 Activities)

Discover Target: CYP2A6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Peso molecular: 146.140 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 146.037 Da
• Monoisotopic Mass: 146.037 Da
• Topological Polar Surface Area: 30.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 156.000
• 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