4-Bromofuran-2-one - ≥97% , CAS No.56634-50-5

CAS: 56634-50-5 Cat. No.: B171015 Fórmula: C₄H₃BrO₂ Peso molecular: 162.97 Número EC: 188-993-8

GRADE & PURITY ≥97%

Synonyms

A923915 | AKOS006306119 | SB61200 | MFCD11109368 | 4-bromo-2,5-dihydrofuran-2-one | EN300-206784 | W10959 | GQSKFTFPHAXZSA-UHFFFAOYSA-N | 4-bromo-5H-furan-2-one | 4-Bromofuran-2-one | 4-bromo-2(5H)-furanone | FS-6127 | DTXSID00472763 | 3-Bromo-2H-furan-5-

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

A923915 | AKOS006306119 | SB61200 | MFCD11109368 | 4-bromo-2,5-dihydrofuran-2-one | EN300-206784 | W10959 | GQSKFTFPHAXZSA-UHFFFAOYSA-N | 4-bromo-5H-furan-2-one | 4-Bromofuran-2-one | 4-bromo-2(5H)-furanone | FS-6127 | DTXSID00472763 | 3-Bromo-2H-furan-5-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1C(=CC(=O)O1)Br
• IUPAC Name: 3-bromo-2H-furan-5-one
• InChIKey: GQSKFTFPHAXZSA-UHFFFAOYSA-N
• INCHI: 1S/C4H3BrO2/c5-3-1-4(6)7-2-3/h1H,2H2
• Isómeros SMILES: C1C(=CC(=O)O1)Br
• Peso molecular: 162.97
• Reaxy-Rn: 1827
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1827&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dihydrofurans
      • Subclass Furanones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dihydrofurans
• Subclass: Furanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Butenolides
• Alternative Parents: Vinylogous halides Enoate esters Lactones Vinyl bromides Oxacyclic compounds Monocarboxylic acids and derivatives Bromoalkenes Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-furanone - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous halide - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Vinyl bromide - Vinyl halide - Oxacycle - Bromoalkene - Haloalkene - Organohalogen compound - Organobromide - Organooxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon 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

Propiedades químicas y físicas

• Sensibilidad: light & Moisture sensitive
• Peso molecular: 162.970 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 161.932 Da
• Monoisotopic Mass: 161.932 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 128.000
• 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