1-Bromo-2-(2-fluorophenoxy)benzene - ≥97% , CAS No.1445322-62-2

CAS: 1445322-62-2 Cat. No.: B979095 Fórmula: C₁₂H₈BrFO Peso molecular: 267.094 PubChem CID: 18423554

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

C1=CC=C(C(=C1)OC2=CC=CC=C2Br)F

IUPAC Name

1-bromo-2-(2-fluorophenoxy)benzene

InChIKey

ZVYFAHHUWZUUQG-UHFFFAOYSA-N

INCHI

1S/C12H8BrFO/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H

SMILES isoméricas

C1=CC=C(C(=C1)OC2=CC=CC=C2Br)F

PubChem CID

18423554

Peso molecular

267.094

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromodiphenyl ethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromodiphenyl ether - Diaryl ether - Phenoxy compound - Phenol ether - Bromobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl bromide - Aryl halide - Ether - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organobromide - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 267.090 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 265.974 Da
• Monoisotopic Mass: 265.974 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 200.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% 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 1445322-62-2, the molecular formula is C12H8BrFO, and the molecular weight is 267.094 g/mol. InChIKey ZVYFAHHUWZUUQG-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.