2-Bromobenzofuran - ≥95% , CAS No.54008-77-4

CAS: 54008-77-4 Cat. No.: B589404 Summenformel: C₈H₅BrO Molekulargewicht: 197.03 EG-Nummer: 830-348-6

GRADE & PURITY ≥95%

Synonyms

AC-26523 | RNEOFIVNTNLSEH-UHFFFAOYSA-N | SCHEMBL594981 | Benzofuran,2-bromo- | A829904 | DTXSID50379935 | BCP22901 | AS-18404 | J-508173 | 2-bromobenzofuran | SY101367 | 2-bromo-1-benzofuran | 2-BROMO-1-BENZOFURANE | BDBM50037845 | FT-0611377 | MB02457 |

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

AC-26523 | RNEOFIVNTNLSEH-UHFFFAOYSA-N | SCHEMBL594981 | Benzofuran,2-bromo- | A829904 | DTXSID50379935 | BCP22901 | AS-18404 | J-508173 | 2-bromobenzofuran | SY101367 | 2-bromo-1-benzofuran | 2-BROMO-1-BENZOFURANE | BDBM50037845 | FT-0611377 | MB02457 |

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C,Desiccated

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

528757242

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528757242

Kanonisches Lächeln

C1=CC=C2C(=C1)C=C(O2)Br

IUPAC Name

2-bromo-1-benzofuran

InChIKey

RNEOFIVNTNLSEH-UHFFFAOYSA-N

INCHI

1S/C8H5BrO/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H

Isomere SMILES

C1=CC=C2C(=C1)C=C(O2)Br

Molekulargewicht

197.03

Reaxy-Rn

112801

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112801&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 197.030 g/mol
• XLogP3: 3.600
• 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