5-Bromo-2-furoic Acid Methyl Ester - ≥98% , CAS No.2527-99-3

CAS: 2527-99-3 Cat. No.: M137548 Peso molecular: 205.009 Número EC: 622-407-8

GRADE & PURITY ≥98%

Synonyms

F3145-2422 | Methyl 5-bromo-2-furoate # | methyl 5-bromo-2-furancarboxylate | methyl 5-bromo-furanate | NCGC00257863-01 | SR-01000635484-1 | STK075492 | 5-bromofuroic acid methyl ester | methyl 5-bromofuran-2-carboxylate;Methyl 5-Bromo-2-furoate | 5-Bromo

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

F3145-2422 | Methyl 5-bromo-2-furoate # | methyl 5-bromo-2-furancarboxylate | methyl 5-bromo-furanate | NCGC00257863-01 | SR-01000635484-1 | STK075492 | 5-bromofuroic acid methyl ester | methyl 5-bromofuran-2-carboxylate;Methyl 5-Bromo-2-furoate | 5-Bromo

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC(=O)C1=CC=C(O1)Br
• IUPAC Name: methyl 5-bromofuran-2-carboxylate
• InChIKey: FBPIDMAELBIRLE-UHFFFAOYSA-N
• INCHI: 1S/C6H5BrO3/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,1H3
• Isómeros SMILES: COC(=O)C1=CC=C(O1)Br
• Peso molecular: 205.009
• Reaxy-Rn: 123077
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=123077&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Furans
      • Subclass Furoic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Furans
• Subclass: Furoic acid and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Furoic acid esters
• Alternative Parents: Aryl bromides Methyl esters Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Furoic acid ester - Aryl bromide - Aryl halide - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid.
• 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

• Solubilidad: Soluble in Methanol
• Punto de ebullición (°C): 80 °C/0.7 mmHg
• Punto de fusión (°C): 66 °C
• Peso molecular: 205.010 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 203.942 Da
• Monoisotopic Mass: 203.942 Da
• Topological Polar Surface Area: 39.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 137.000
• 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