3-Bromofuran-2(5H)-one , CAS No.76311-89-2

CAS: 76311-89-2 Cat. No.: B1363588 Summenformel: C₄H₃BrO₂ Molekulargewicht: 162.97 EG-Nummer: 278-416-9

Storage

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Specifications

Storage

Room temperature

Verschickt in

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Namen und Kennungen

Kanonisches Lächeln

C1C=C(C(=O)O1)Br

IUPAC Name

4-bromo-2H-furan-5-one

InChIKey

QSYHSDNIQZDYGF-UHFFFAOYSA-N

INCHI

1S/C4H3BrO2/c5-3-1-2-7-4(3)6/h1H,2H2

Molekulargewicht

162.97

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Dihydrofurans
• Subclass: Furanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Butenolides
• Alternative Parents: 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 - 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 162.970 g/mol
• XLogP3: 1.100
• 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