[4-(4-Bromophenoxy)-3-fluorophenyl]methanol - ≥95% , CAS No.1037141-37-9

CAS: 1037141-37-9 Cat. No.: B967544 Fórmula: C₁₃H₁₀O₂FBr Peso molecular: 297.11 PubChem CID: 28946073

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1OC2=C(C=C(C=C2)CO)F)Br
• IUPAC Name: [4-(4-bromophenoxy)-3-fluorophenyl]methanol
• InChIKey: HUUCJMFWXQVGOK-UHFFFAOYSA-N
• INCHI: 1S/C13H10BrFO2/c14-10-2-4-11(5-3-10)17-13-6-1-9(8-16)7-12(13)15/h1-7,16H,8H2
• Isómeros SMILES: C1=CC(=CC=C1OC2=C(C=C(C=C2)CO)F)Br
• PubChem CID: 28946073
• Peso molecular: 297.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromodiphenyl ethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Benzyl alcohols Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Primary alcohols Organofluorides Organobromides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromodiphenyl ether - Diaryl ether - Benzyl alcohol - Phenoxy compound - Phenol ether - Bromobenzene - Halobenzene - Fluorobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Ether - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organobromide - Alcohol - Organofluoride - Organooxygen compound - Primary alcohol - Aromatic alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bromodiphenyl ethers. These are compounds that contain two benzene groups linked to each other via an ether bond, and where at least one ring is substituted with a bromo group.
• 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

Propiedades químicas y físicas

• Peso molecular: 297.120 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 295.985 Da
• Monoisotopic Mass: 295.985 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 231.000
• 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

Preguntas frecuentes

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 1037141-37-9, the molecular formula is C13H10O2FBr, and the molecular weight is 297.11 g/mol. InChIKey HUUCJMFWXQVGOK-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.