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

CAS: 56634-50-5 Cat. No.: B171015 Formule: C₄H₃BrO₂ Poids moléculaire: 162.97 Numéro CE: 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

Synonymes

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-

Spécifications et pureté

≥97%

Conditions de stockage de stockage

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

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

C1C(=CC(=O)O1)Br

Poids moléculaire

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
    • Classe Dihydrofurans
      • Subclass Furanones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: light & Moisture sensitive
• Poids moléculaire: 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