4-Bromo-2-fluoro-6-iodophenol - ≥95% , CAS No.1228093-50-2

CAS: 1228093-50-2 Cat. No.: B1037236 PubChem CID: 46220690

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

C1=C(C=C(C(=C1F)O)I)Br

IUPAC Name

4-bromo-2-fluoro-6-iodophenol

InChIKey

FFSVCCAYONPYON-UHFFFAOYSA-N

INCHI

1S/C6H3BrFIO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

Isomeri SMILES

C1=C(C=C(C(=C1F)O)I)Br

PubChem CID

46220690

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Halophenols
        • Level5 Bromophenols
          • Level6 P-bromophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Bromophenols
• Direct Parent: P-bromophenols
• Alternative Parents: O-iodophenols O-fluorophenols Iodobenzenes Fluorobenzenes Bromobenzenes Aryl iodides Aryl fluorides Aryl bromides Organooxygen compounds Organoiodides Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-bromophenol - 2-iodophenol - 2-fluorophenol - Iodobenzene - Halobenzene - Fluorobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Aryl fluoride - Aryl bromide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organofluoride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as p-bromophenols. These are bromophenols 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

Proprietà chimiche e fisiche

• Peso molecolare: 316.890 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 315.84 Da
• Monoisotopic Mass: 315.84 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 124.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 1228093-50-2. InChIKey FFSVCCAYONPYON-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.