3-BROMO-1-BENZOFURAN - ≥97% , CAS No.59214-70-9

CAS: 59214-70-9 Cat. No.: B194097 Peso molecular: 197.03 Número EC: 809-863-5

GRADE & PURITY ≥97%

Synonyms

AKOS003585189 | STK085851 | A832208 | ICJNAOJPUTYWNV-UHFFFAOYSA-N | 3-bromobenzofuran | J-511787 | MFCD01029425 | 3-bromo-1-benzofuran | SY004448 | AM804100 | SCHEMBL6008 | 3-bromanyl-1-benzofuran | AC-0812 | FT-0640590 | benzofuran, 3-bromo- | DTXSID3034

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

AKOS003585189 | STK085851 | A832208 | ICJNAOJPUTYWNV-UHFFFAOYSA-N | 3-bromobenzofuran | J-511787 | MFCD01029425 | 3-bromo-1-benzofuran | SY004448 | AM804100 | SCHEMBL6008 | 3-bromanyl-1-benzofuran | AC-0812 | FT-0640590 | benzofuran, 3-bromo- | DTXSID3034

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, 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

• Pubchem Sid: 488190905
• Sonrisas canónicas: C1=CC=C2C(=C1)C(=CO2)Br
• IUPAC Name: 3-bromo-1-benzofuran
• InChIKey: ICJNAOJPUTYWNV-UHFFFAOYSA-N
• INCHI: 1S/C8H5BrO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5H
• Isómeros SMILES: C1=CC=C2C(=C1)C(=CO2)Br
• Peso molecular: 197.03
• Reaxy-Rn: 114935
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114935&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofurans
• Alternative Parents: Benzenoids Aryl bromides Heteroaromatic compounds Furans Oxacyclic compounds Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzofuran - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen 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 sensitive
• Punto de ebullición (°C): 110° C
• Punto de fusión (°C): 35-40° C
• Peso molecular: 197.030 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 195.952 Da
• Monoisotopic Mass: 195.952 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• 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