4-Bromo-2-furaldehyde - ≥97% , CAS No.21921-76-6

CAS: 21921-76-6 Cat. No.: B151893 Peso molecular: 174.98 Número EC: 626-307-5

GRADE & PURITY ≥97%

Synonyms

MFCD00671504 | Z898215000 | 4-bromo-furan-2-carbaldehyde | 4-bromofuran-2-carbaldehyde | 4-Bromo-2-furaldehyde | 4-bromo-2-furancarboxyaldehyde | 4-bromo-furan-2-carboxaldehyde | 4-Bromofuran-2-carboxaldehyde | 2-Furancarboxaldehyde, 4-bromo- | 4-Bromo-2-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Building block for the synthesis of furanyl cyclobutenediones, potent G-protein coupled receptor antagonists.

Specifications

Sinónimos

MFCD00671504 | Z898215000 | 4-bromo-furan-2-carbaldehyde | 4-bromofuran-2-carbaldehyde | 4-Bromo-2-furaldehyde | 4-bromo-2-furancarboxyaldehyde | 4-bromo-furan-2-carboxaldehyde | 4-Bromofuran-2-carboxaldehyde | 2-Furancarboxaldehyde, 4-bromo- | 4-Bromo-2-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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: C1=C(OC=C1Br)C=O
• IUPAC Name: 4-bromofuran-2-carbaldehyde
• InChIKey: MRGBBKQOSUHKPF-UHFFFAOYSA-N
• INCHI: 1S/C5H3BrO2/c6-4-1-5(2-7)8-3-4/h1-3H
• Isómeros SMILES: C1=C(OC=C1Br)C=O
• WGK Alemania: 3
• Peso molecular: 174.98
• Reaxy-Rn: 1280977
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1280977&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Aryl-aldehydes
• Alternative Parents: Aryl bromides Heteroaromatic compounds Furans Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Aryl halide - Aryl bromide - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Heat sensitive;Air sensitive
• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Punto de fusión (°C): 54-58°C
• Peso molecular: 174.980 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.932 Da
• Monoisotopic Mass: 173.932 Da
• Topological Polar Surface Area: 30.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 94.400
• 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

Referencias

1. Wang Dongdong, Al-Mamun Mohammad, Gong Wanbing, Lv Yang, Chen Chun, Lin Yue, Wang Guozhong, Zhang Haimin, Zhao Huijun.  (2021)  Converting Co2+-impregnated g-C3N4 into N-doped CNTs-confined Co nanoparticles for efficient hydrogenation rearrangement reactions of furanic aldehydes.  Nano Research,  14  (8): (2846-2852).  [PMID:] [10.1007/s12274-021-3298-y]