m-(2-Fluorophenoxy)toluene - ≥97% , CAS No.78850-78-9

CAS: 78850-78-9 Cat. No.: M405724 Fórmula: C₁₃H₁₁FO Peso molecular: 202.23

CALIDAD & PUREZA ≥97%

Synonyms

SCHEMBL11356768 | Hexanedioic acidmonoEthyl ester | m-(2-Fluorophenoxy)toluene | 1-fluoranyl-2-(3-methylphenoxy)benzene | 2-Fluorophenyl m-Tolyl Ether | MFCD01321169 | m-(2-Fluorophenoxy)toluene , | 1-Fluoro-2-(m-tolyloxy)benzene | 2-Fluoro-3'-methyldiphe

Storage

Room temperature

Especificaciones

Sinónimos

SCHEMBL11356768 | Hexanedioic acidmonoEthyl ester | m-(2-Fluorophenoxy)toluene | 1-fluoranyl-2-(3-methylphenoxy)benzene | 2-Fluorophenyl m-Tolyl Ether | MFCD01321169 | m-(2-Fluorophenoxy)toluene , | 1-Fluoro-2-(m-tolyloxy)benzene | 2-Fluoro-3'-methyldiphe

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488199802

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199802

Sonrisas canónicas

CC1=CC(=CC=C1)OC2=CC=CC=C2F

IUPAC Name

1-fluoro-2-(3-methylphenoxy)benzene

InChIKey

LTTPKDJFHJHNPA-UHFFFAOYSA-N

INCHI

1S/C13H11FO/c1-10-5-4-6-11(9-10)15-13-8-3-2-7-12(13)14/h2-9H,1H3

Isómeros SMILES

CC1=CC(=CC=C1)OC2=CC=CC=C2F

Peso molecular

202.23

Reaxy-Rn

6392417

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6392417&ln=

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: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Toluenes Fluorobenzenes Aryl fluorides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Toluene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Ether - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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

• Punto de inflamación (°C): 94 °C
• Peso molecular: 202.220 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 202.079 Da
• Monoisotopic Mass: 202.079 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 195.000
• 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