3-Fluoro-4-(trifluorometoxi)fenol - ≥97% , CAS No.177596-38-2

CAS: 177596-38-2 Cat. No.: F132677 Peso molecular: 196.1 Número EC: 678-836-6

GRADE & PURITY ≥97%

Synonyms

DS-14291 | A812278 | Phenol, 3-fluoro-4-(trifluoromethoxy)- | 3-fluoro-4-trifluromethoxyphenol | MFCD06660342 | 3-Fluoro-4-(trifluoromethoxy)phenol, AldrichCPR | AM62297 | EN300-7397706 | 5-(alpha-Carboxyethyl)-2-Phenylthio-PhenylaceticAcid | DTXSID903826

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Aplicación del producto：
el 3-Fluoro-4-(trifluorometoxi)fenol se utiliza como intermediario en síntesis orgánica, productos farmacéuticos, agroquímicos e industrias de colorantes.

Specifications

Sinónimos

DS-14291 | A812278 | Phenol, 3-fluoro-4-(trifluoromethoxy)- | 3-fluoro-4-trifluromethoxyphenol | MFCD06660342 | 3-Fluoro-4-(trifluoromethoxy)phenol, AldrichCPR | AM62297 | EN300-7397706 | 5-(alpha-Carboxyethyl)-2-Phenylthio-PhenylaceticAcid | DTXSID903826

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504762127
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762127
• Sonrisas canónicas: C1=CC(=C(C=C1O)F)OC(F)(F)F
• IUPAC Name: 3-fluoro-4-(trifluoromethoxy)phenol
• InChIKey: UTFSPWRTXCDUIJ-UHFFFAOYSA-N
• INCHI: 1S/C7H4F4O2/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3,12H
• Isómeros SMILES: C1=CC(=C(C=C1O)F)OC(F)(F)F
• Peso molecular: 196.1
• Reaxy-Rn: 9847235
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9847235&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass 4-alkoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: 4-alkoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-alkoxyphenols
• Alternative Parents: Phenoxy compounds Phenol ethers M-fluorophenols Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Trihalomethanes Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-alkoxyphenol - Phenoxy compound - Phenol ether - 3-halophenol - 3-fluorophenol - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Trihalomethane - Alkyl fluoride - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Halomethane - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 4-alkoxyphenols. These are phenols that carry an alkoxy group at the 4-position of the 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

• Sensibilidad: Air sensitive
• Índice de refracción: 1.44
• Punto de inflamación (°C): 99 °C
• Peso molecular: 196.100 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 196.015 Da
• Monoisotopic Mass: 196.015 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 170.000
• 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