6-Chloro-3-formylchromone - ≥98%(GC) , CAS No.42248-31-7

CAS: 42248-31-7 Cat. No.: C153610 Peso molecular: 208.6 Número EC: 806-946-8

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS000267431 | VU0490359-1 | 6-Chloro-3-formylchromone | C2869 | DTXSID20332754 | EN300-18415 | 6-chloro-4-oxo-4H-chromene-3-carbaldehyde | 6-chloro-4-oxo-chromene-3-carbaldehyde | 6-chloro-4-oxochromene-3-carbaldehyde | 6-Chlorochromone-3-carboxaldehyde

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS000267431 | VU0490359-1 | 6-Chloro-3-formylchromone | C2869 | DTXSID20332754 | EN300-18415 | 6-chloro-4-oxo-4H-chromene-3-carbaldehyde | 6-chloro-4-oxo-chromene-3-carbaldehyde | 6-chloro-4-oxochromene-3-carbaldehyde | 6-Chlorochromone-3-carboxaldehyde

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488189914
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189914
• Sonrisas canónicas: C1=CC2=C(C=C1Cl)C(=O)C(=CO2)C=O
• IUPAC Name: 6-chloro-4-oxochromene-3-carbaldehyde
• InChIKey: LIGLNCRTMDRUAO-UHFFFAOYSA-N
• INCHI: 1S/C10H5ClO3/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-5H
• Isómeros SMILES: C1=CC2=C(C=C1Cl)C(=O)C(=CO2)C=O
• Peso molecular: 208.6
• Reaxy-Rn: 475035
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=475035&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromones
• Alternative Parents: Pyranones and derivatives Aryl-aldehydes Benzenoids Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - Pyranone - Aryl-aldehyde - Benzenoid - Pyran - Aryl halide - Aryl chloride - Heteroaromatic compound - Oxacycle - Aldehyde - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
• 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)

TOP2A Tclin DNA topoisomerase II alpha (6317 Activities)

Discover Target: TOP2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 167 °C
• Peso molecular: 208.600 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 207.993 Da
• Monoisotopic Mass: 207.993 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 298.000
• 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