6-Bromo-3-formylchromone - ≥97% , CAS No.52817-12-6

CAS: 52817-12-6 Cat. No.: B152562 Molecular Weight: 253.05 Beilstein Registry Number: 17(5)11,359 EC Number: 624-238-5

GRADE & PURITY ≥97%

Synonyms

AS-48290 | EN300-11886 | F30193 | B2183 | 6-Bromo-3-formylchromone | C10H5BrO3 | FT-0640110 | SCHEMBL177572 | 6-Bromo-4-oxo-4H-chromene-3-carbaldehyde # | 6-Bromochromone-3-carboxaldehyde | AC-25539 | AKOS000275968 | DTXSID00346713 | 6-Bromo-4-oxo-4H-chro

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

6-Bromo-3-formylchromone (6-Bromo-4-oxo-4H-1-benzopyran-3-carboxaldehyde) is a 3-formylchromone derivative. In vivo cytotoxic activity of 6-bromo-3-formylchromone against normal and tumor cells has been tested.

Specifications

Synonyms

AS-48290 | EN300-11886 | F30193 | B2183 | 6-Bromo-3-formylchromone | C10H5BrO3 | FT-0640110 | SCHEMBL177572 | 6-Bromo-4-oxo-4H-chromene-3-carbaldehyde # | 6-Bromochromone-3-carboxaldehyde | AC-25539 | AKOS000275968 | DTXSID00346713 | 6-Bromo-4-oxo-4H-chro

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504759548
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759548
• Canonical Smiles: C1=CC2=C(C=C1Br)C(=O)C(=CO2)C=O
• IUPAC Name: 6-bromo-4-oxochromene-3-carbaldehyde
• InChIKey: PCEZXSJBHMOQFT-UHFFFAOYSA-N
• INCHI: 1S/C10H5BrO3/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-5H
• Isomeric SMILES: C1=CC2=C(C=C1Br)C(=O)C(=CO2)C=O
• WGK Germany: 3
• Molecular Weight: 253.05
• Beilstein: 17(5)11,359
• Reaxy-Rn: 1619935
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1619935&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromones
• Alternative Parents: Pyranones and derivatives Aryl-aldehydes Benzenoids Aryl bromides Heteroaromatic compounds Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - Pyranone - Aryl-aldehyde - Benzenoid - Pyran - Aryl halide - Aryl bromide - Heteroaromatic compound - Oxacycle - Aldehyde - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive
• Melt Point(°C): 190-193 °C
• Molecular Weight: 253.050 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 251.942 Da
• Monoisotopic Mass: 251.942 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