(2-Fluoro-6-iodophenyl)methanol - ≥98% , CAS No.911825-94-0

CAS: 911825-94-0 Cat. No.: M734486 Summenformel: C₇H₆FIO Molekulargewicht: 252.02 EG-Nummer: 112-764-3 PubChem CID: 59705003

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC(=C(C(=C1)I)CO)F
• IUPAC Name: (2-fluoro-6-iodophenyl)methanol
• InChIKey: ZMLMVTDRUORFDB-UHFFFAOYSA-N
• INCHI: 1S/C7H6FIO/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
• Isomere SMILES: C1=CC(=C(C(=C1)I)CO)F
• PubChem CID: 59705003
• Molekulargewicht: 252.02

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzyl alcohols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzyl alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl alcohols
• Alternative Parents: Iodobenzenes Fluorobenzenes Vinyl iodides Vinyl fluorides Iodoalkenes Fluoroalkenes Organoiodides Organofluorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl alcohol - Iodobenzene - Halobenzene - Fluorobenzene - Iodoalkene - Fluoroalkene - Haloalkene - Vinyl iodide - Vinyl halide - Vinyl fluoride - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organoiodide - Organofluoride - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
• 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): 54-55
• Molekulargewicht: 252.020 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 251.945 Da
• Monoisotopic Mass: 251.945 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% 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 911825-94-0, the molecular formula is C7H6FIO, and the molecular weight is 252.02 g/mol. InChIKey ZMLMVTDRUORFDB-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.