7-Bromochromone - ≥97% , CAS No.168759-60-2

CAS: 168759-60-2 Cat. No.: B167821 Formula: C₉H₅BrO₂ Peso molecolare: 225.04 Numero EC: 663-714-7

GRADE & PURITY ≥97%

Synonyms

DTXSID40595586 | DS-4023 | MFCD12196350 | 7-BROMO-4H-CHROMEN-4-ONE | WWAOCYNUAWVKGQ-UHFFFAOYSA-N | 7-Bromochromone | 7-Bromo-4H-1-benzopyran-4-one | SY110679 | AM803312 | F1902-0099 | SCHEMBL2065762 | 7-bromochromen-4-one | AKOS016005068

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinonimi

DTXSID40595586 | DS-4023 | MFCD12196350 | 7-BROMO-4H-CHROMEN-4-ONE | WWAOCYNUAWVKGQ-UHFFFAOYSA-N | 7-Bromochromone | 7-Bromo-4H-1-benzopyran-4-one | SY110679 | AM803312 | F1902-0099 | SCHEMBL2065762 | 7-bromochromen-4-one | AKOS016005068

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488199654
• Sorrisi canonici: C1=CC2=C(C=C1Br)OC=CC2=O
• IUPAC Name: 7-bromochromen-4-one
• InChIKey: WWAOCYNUAWVKGQ-UHFFFAOYSA-N
• INCHI: 1S/C9H5BrO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H
• Isomeri SMILES: C1=CC2=C(C=C1Br)OC=CC2=O
• WGK Germania: 3
• Peso molecolare: 225.04
• Reaxy-Rn: 15522627
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15522627&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Proprietà chimiche e fisiche

• Sensibilità: light & heat & Moisture sensitive
• Punto di fusione (°C): 154-159°C
• Peso molecolare: 225.040 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 223.947 Da
• Monoisotopic Mass: 223.947 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 225.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 168759-60-2, the molecular formula is C9H5BrO2, and the molecular weight is 225.04 g/mol. InChIKey WWAOCYNUAWVKGQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.