2,8-dibromodibenzofuran - ≥98%(GC) , CAS No.10016-52-1

CAS: 10016-52-1 Cat. No.: D131685 Summenformel: C₁₂H₆Br₂O Molekulargewicht: 325.99 EG-Nummer: 634-508-4

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS022172003 | MFCD00093683 | AE-473/30516055 | H-PH-Phg-Omehydrochloride | A851597 | DTXSID40142993 | SCHEMBL258689 | EN300-717281 | SY031564 | 2,8-Dibromodibenzo[b,d]furan # | 4,12-dibromo-8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AKOS022172003 | MFCD00093683 | AE-473/30516055 | H-PH-Phg-Omehydrochloride | A851597 | DTXSID40142993 | SCHEMBL258689 | EN300-717281 | SY031564 | 2,8-Dibromodibenzo[b,d]furan # | 4,12-dibromo-8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene |

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

488186080

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186080

Kanonisches Lächeln

C1=CC2=C(C=C1Br)C3=C(O2)C=CC(=C3)Br

IUPAC Name

2,8-dibromodibenzofuran

InChIKey

UFCZRCPQBWIXTR-UHFFFAOYSA-N

INCHI

1S/C12H6Br2O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H

Isomere SMILES

C1=CC2=C(C=C1Br)C3=C(O2)C=CC(=C3)Br

Molekulargewicht

325.99

Reaxy-Rn

11702

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11702&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzofurans
      • Subclass Dibenzofurans
        • Ebene5 Brominated dibenzofurans
          • Ebene6 Polybrominated dibenzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzofurans
• Subclass: Dibenzofurans
• Intermediate Tree Nodes: Brominated dibenzofurans
• Direct Parent: Polybrominated dibenzofurans
• Alternative Parents: Polybrominated biphenyls Aryl bromides Heteroaromatic compounds Furans Oxacyclic compounds Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Polybrominated dibenzofuran - Polybrominated biphenyl - 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 polybrominated dibenzofurans. These are organic compounds containing two or more bromine atoms attached to a dibenzofuran moiety.
• 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 195 °C
• Molekulargewicht: 325.980 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 325.876 Da
• Monoisotopic Mass: 323.879 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 222.000
• 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