2-bromodibenzofuran - ≥98% , CAS No.86-76-0

CAS: 86-76-0 Cat. No.: B134874 Formule: C₁₂H₇BrO Poids moléculaire: 247.087 Numéro CE: 659-733-5

GRADE & PURITY ≥98%

Synonyms

A847614 | SB66894 | EN300-212013 | 2-Bromodibenzo[b,d]furan | SCHEMBL67700 | B4459 | 4-bromo-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene | Dibenzofuran, 2-bromo- (8CI)(9CI) | MFCD00092338 | 2-BROMODIBENZOFURAN | 2-BROMO-DIBENZOFURAN | DTX

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

2-Bromodibenzofuran is used as a reagent in Friedel-Crafts acylation reactions.

Specifications

Synonymes

A847614 | SB66894 | EN300-212013 | 2-Bromodibenzo[b,d]furan | SCHEMBL67700 | B4459 | 4-bromo-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene | Dibenzofuran, 2-bromo- (8CI)(9CI) | MFCD00092338 | 2-BROMODIBENZOFURAN | 2-BROMO-DIBENZOFURAN | DTX

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488180178

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180178

Sourires canoniques

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)Br

IUPAC Name

2-bromodibenzofuran

InChIKey

CRJISNQTZDMKQD-UHFFFAOYSA-N

INCHI

1S/C12H7BrO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H

Isomères SMILES

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)Br

Poids moléculaire

247.087

Reaxy-Rn

142199

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=142199&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzofurans
      • Subclass Dibenzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzofurans
• Subclass: Dibenzofurans
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzofurans
• Alternative Parents: Benzenoids Aryl bromides Heteroaromatic compounds Furans Oxacyclic compounds Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzofuran - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dibenzofurans. These are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan 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

Propriétés chimiques et physiques

• Solubilité: Soluble in hot methanol.
• Point d'ébullition (°C): 220 °C/40 mmHg
• Point de fusion (°C): 110-115°C
• Poids moléculaire: 247.090 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 245.968 Da
• Monoisotopic Mass: 245.968 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 218.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 86-76-0, the molecular formula is C12H7BrO, and the molecular weight is 247.087 g/mol. InChIKey CRJISNQTZDMKQD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.