2,6-Dibromo-4-fluorophenol - ≥98% , CAS No.344-20-7

CAS: 344-20-7 Cat. No.: D122591 Molecular Weight: 269.89 Beilstein Registry Number: 1868033 EC Number: 206-451-1

GRADE & PURITY ≥98%

Synonyms

2,6-Dibromo-4-fluorophenol, 99% | 4-Fluoro-2,6-dibromophenol | NSC 190640 | A19861 | AM61911 | DTXSID80187969 | AKOS015889824 | InChI=1/C6H3Br2FO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10 | SY049421 | MFCD00002317 | AC-3781 | PS-10212 | B2D5D667PG | FT-0610546 | SC

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 6-Dibromo-4-fluorophenol, 99% | 4-Fluoro-2, 6-dibromophenol | NSC 190640 | A19861 | AM61911 | DTXSID80187969 | AKOS015889824 | InChI=1/C6H3Br2FO/c7-4-1-3(9)2-5(8)6(4)10/h1-2, 10 | SY049421 | MFCD00002317 | AC-3781 | PS-10212 | B2D5D667PG | FT-0610546 | SC

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488183975
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183975
• Canonical Smiles: C1=C(C=C(C(=C1Br)O)Br)F
• IUPAC Name: 2,6-dibromo-4-fluorophenol
• InChIKey: RRAZCUUOWIDAJS-UHFFFAOYSA-N
• INCHI: 1S/C6H3Br2FO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H
• Isomeric SMILES: C1=C(C=C(C(=C1Br)O)Br)F
• WGK Germany: 3
• Molecular Weight: 269.89
• Beilstein: 1868033
• Reaxy-Rn: 1868033
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1868033&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Halophenols
        • Level5 Fluorophenols
          • Level6 P-fluorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Fluorophenols
• Direct Parent: P-fluorophenols
• Alternative Parents: O-bromophenols Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Organooxygen compounds Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-fluorophenol - 2-bromophenol - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as p-fluorophenols. These are fluorophenols carrying a iodine at the C4 position of the benzene 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Air Sensitive
• Melt Point(°C): 54-56°C
• Molecular Weight: 269.890 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 269.851 Da
• Monoisotopic Mass: 267.853 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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