m-(4-Fluorophenoxy)toluene - ≥97% , CAS No.1514-26-7

CAS: 1514-26-7 Cat. No.: M158585 Formule: C₁₃H₁₁FO Poids moléculaire: 202.23 Beilstein Registry Number: 6(4)2042

GRADE & PURITY ≥97%

Synonyms

DTXSID20602085 | F0374 | MFCD01321168 | 4-Fluorophenyl m-Tolyl Ether | SCHEMBL4735979 | m-(4-Fluorophenoxy)toluene | 1-(4-fluorophenoxy)-3-methylbenzene | AKOS027320892 | T71818 | 4-Fluoro-3'-methyldiphenyl Ether | APVQRVSBMIDSFS-UHFFFAOYSA-N | AS-62245 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

DTXSID20602085 | F0374 | MFCD01321168 | 4-Fluorophenyl m-Tolyl Ether | SCHEMBL4735979 | m-(4-Fluorophenoxy)toluene | 1-(4-fluorophenoxy)-3-methylbenzene | AKOS027320892 | T71818 | 4-Fluoro-3'-methyldiphenyl Ether | APVQRVSBMIDSFS-UHFFFAOYSA-N | AS-62245 |

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504768887

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768887

Sourires canoniques

CC1=CC(=CC=C1)OC2=CC=C(C=C2)F

IUPAC Name

1-fluoro-4-(3-methylphenoxy)benzene

InChIKey

APVQRVSBMIDSFS-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

CC1=CC(=CC=C1)OC2=CC=C(C=C2)F

Poids moléculaire

202.23

Beilstein

6(4)2042

Reaxy-Rn

2100621

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2100621&ln=

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: 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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.55
• Point d'éclair (°C): 101 °C
• Poids moléculaire: 202.220 g/mol
• XLogP3: 4.300
• 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: 187.000
• 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