3-(Trifluoromethoxy)phenol - ≥98% , CAS No.827-99-6

CAS: 827-99-6 Cat. No.: T116076 Peso molecular: 178.11 Número EC: 624-668-3 PubChem CID: 2733261

GRADE & PURITY ≥98%

Synonyms

T1615 | DTXSID90369815 | SCHEMBL224912 | m-(trifluoromethoxy)phenol | FT-0613914 | MFCD00040987 | 3-(Tifluoromethoxy)phenol | Phenol, 3-(trifluoromethoxy)- | 3-trifluoromethoxyphenol | 3-Trifluoromethoxy-phenol | PS-8562 | STL554620 | AKOS005145713 | 3-(T

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

T1615 | DTXSID90369815 | SCHEMBL224912 | m-(trifluoromethoxy)phenol | FT-0613914 | MFCD00040987 | 3-(Tifluoromethoxy)phenol | Phenol, 3-(trifluoromethoxy)- | 3-trifluoromethoxyphenol | 3-Trifluoromethoxy-phenol | PS-8562 | STL554620 | AKOS005145713 | 3-(T

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488192367
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192367
• Sonrisas canónicas: C1=CC(=CC(=C1)OC(F)(F)F)O
• IUPAC Name: 3-(trifluoromethoxy)phenol
• InChIKey: UWLJERQTLRORJN-UHFFFAOYSA-N
• INCHI: 1S/C7H5F3O2/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4,11H
• Isómeros SMILES: C1=CC(=CC(=C1)OC(F)(F)F)O
• WGK Alemania: 3
• PubChem CID: 2733261
• Peso molecular: 178.11
• Reaxy-Rn: 1868036

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Trihalomethanes Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Trihalomethane - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

• Índice de refracción: 1.45
• Punto de inflamación (°F): 184 °F
• Punto de inflamación (°C): 184°F
• Punto de ebullición (°C): 69-70°C
• Punto de fusión (°C): 69-70°C
• Peso molecular: 178.110 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 178.024 Da
• Monoisotopic Mass: 178.024 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 146.000
• 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

Referencias

1. Xixiang Wang, Shunzhen Ren, Yuefeng Ma, Zhipeng Li, Tianhui Ren.  (2026)  Comparative tribological behavior of phosphazene derivatives with different fluorine substituents in three base oils.  TRIBOLOGY INTERNATIONAL,      [PMID:] [10.1016/j.triboint.2026.111788]