3,6-Dibromocarbazole - ≥98% , CAS No.6825-20-3

CAS: 6825-20-3 Cat. No.: D101983 Molecular Weight: 325.00 Beilstein Registry Number: 20439 EC Number: 629-373-3

GRADE & PURITY ≥98%

Synonyms

FD14043 | doi:10.14272/FIHILUSWISKVSR-UHFFFAOYSA-N.2 | SY030303 | AC-28756 | AKOS003653993 | 2-(4-(2-Hydroxy-3-(Isopropylamino)propoxy)phenyl)ethanamide | DTXSID60298163 | HY-W009154 | SR-01000390065-1 | SCHEMBL38602 | AM10797 | GS-4404 | A836064 | 10.142

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

FD14043 | doi:10.14272/FIHILUSWISKVSR-UHFFFAOYSA-N.2 | SY030303 | AC-28756 | AKOS003653993 | 2-(4-(2-Hydroxy-3-(Isopropylamino)propoxy)phenyl)ethanamide | DTXSID60298163 | HY-W009154 | SR-01000390065-1 | SCHEMBL38602 | AM10797 | GS-4404 | A836064 | 10.142

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488189205
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189205
• Canonical Smiles: C1=CC2=C(C=C1Br)C3=C(N2)C=CC(=C3)Br
• IUPAC Name: 3,6-dibromo-9H-carbazole
• InChIKey: FIHILUSWISKVSR-UHFFFAOYSA-N
• INCHI: 1S/C12H7Br2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H
• Isomeric SMILES: C1=CC2=C(C=C1Br)C3=C(N2)C=CC(=C3)Br
• WGK Germany: 3
• Molecular Weight: 325.00
• Beilstein: 20439
• Reaxy-Rn: 170481
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=170481&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Brominated biphenyls
          • Level6 Polybrominated biphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Brominated biphenyls
• Direct Parent: Polybrominated biphenyls
• Alternative Parents: Carbazoles Indoles Aryl bromides Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Polybrominated biphenyl - Carbazole - Indole - Indole or derivatives - Aryl bromide - Aryl halide - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as polybrominated biphenyls. These are organic aromatic compounds containing a biphenyl moiety, which is substituted at two or more ring positions by a bromine 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in benzene, chloroform
• Sensitivity: Air sensitive
• Melt Point(°C): 212°C
• Molecular Weight: 325.000 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 324.892 Da
• Monoisotopic Mass: 322.895 Da
• Topological Polar Surface Area: 15.800 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

References

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