3-Fluoro-4-iodophenol - ≥95% , CAS No.122927-84-8

CAS: 122927-84-8 Cat. No.: F190218 Fórmula: C₆H₄FIO Peso molecular: 238.00 Número CE: 810-338-8

GRADE & PURITY ≥95%

Synonyms

MFCD12407087 | SY112922 | 3-FLUORO-4-IODOPHENOL | FT-0660385 | DS-17428 | AKOS007930909 | MB11930 | A890875 | AMY2759 | CSQWLXZVUXRZFL-UHFFFAOYSA-N | Phenol, 3-fluoro-4-iodo- | 3-Floro-4-iodophenol | BCP05732 | DTXSID70564503 | SCHEMBL2326382

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD12407087 | SY112922 | 3-FLUORO-4-IODOPHENOL | FT-0660385 | DS-17428 | AKOS007930909 | MB11930 | A890875 | AMY2759 | CSQWLXZVUXRZFL-UHFFFAOYSA-N | Phenol, 3-fluoro-4-iodo- | 3-Floro-4-iodophenol | BCP05732 | DTXSID70564503 | SCHEMBL2326382

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

504767727

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767727

Sorrisos canónicos

C1=CC(=C(C=C1O)F)I

IUPAC Name

3-fluoro-4-iodophenol

InChIKey

CSQWLXZVUXRZFL-UHFFFAOYSA-N

INCHI

1S/C6H4FIO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H

SMILES isoméricas

C1=CC(=C(C=C1O)F)I

Peso molecular

238.00

Reaxy-Rn

26938692

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26938692&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Halophenols
        • Level5 Iodophenols
          • Level6 P-iodophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Iodophenols
• Direct Parent: P-iodophenols
• Alternative Parents: M-fluorophenols Iodobenzenes Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Aryl fluorides Organooxygen compounds Organoiodides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-iodophenol - 3-fluorophenol - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Iodobenzene - Aryl fluoride - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organoiodide - Organohalogen compound - Organofluoride - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as p-iodophenols. These are iodophenols 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

Propriedades químicas e físicas

• Peso molecular: 238.000 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 237.929 Da
• Monoisotopic Mass: 237.929 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• 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

Perguntas frequentes

How should this product be stored?

Store at room temperature.

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 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 122927-84-8, the molecular formula is C6H4FIO, and the molecular weight is 238.00 g/mol. InChIKey CSQWLXZVUXRZFL-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.