2,5-Bis(trifluorometil)anilina - ≥99% , CAS No.328-93-8

CAS: 328-93-8 Cat. No.: B122473 Peso molecular: 229.12 Beilstein Registry Number: 2653046 Número EC: 629-040-2

GRADE & PURITY ≥99%

Synonyms

EN300-02439 | BCP08855 | Z56896763 | 2,5-Bis (trifluoro methyl) aniline | A821499 | 2,5-bis-trifluoromethylaniline | 2,5-bis-trifluoromethyl-aniline | 2,5-BIS(TRIFLUOROMETHYL)BENZENAMINE | alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-2,5-xylidine | B

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Descripción general

la 2,5-Bis(trifluorometil)anilina puede utilizarse en síntesis química.

Specifications

Sinónimos

EN300-02439 | BCP08855 | Z56896763 | 2, 5-Bis (trifluoro methyl) aniline | A821499 | 2, 5-bis-trifluoromethylaniline | 2, 5-bis-trifluoromethyl-aniline | 2, 5-BIS(TRIFLUOROMETHYL)BENZENAMINE | alpha, alpha, alpha, alpha', alpha', alpha'-Hexafluoro-2, 5-xylidine | B

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Protected from light, Argon charged, Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488191235
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191235
• Sonrisas canónicas: C1=CC(=C(C=C1C(F)(F)F)N)C(F)(F)F
• IUPAC Name: 2,5-bis(trifluoromethyl)aniline
• InChIKey: XWMVIJUAZAEWIE-UHFFFAOYSA-N
• INCHI: 1S/C8H5F6N/c9-7(10,11)4-1-2-5(6(15)3-4)8(12,13)14/h1-3H,15H2
• Isómeros SMILES: C1=CC(=C(C=C1C(F)(F)F)N)C(F)(F)F
• WGK Alemania: 3
• Peso molecular: 229.12
• Beilstein: 2653046
• Reaxy-Rn: 2653046
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2653046&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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: light ＆ air sensi
• Índice de refracción: 1.4338
• Punto de inflamación (°F): 159.8 °F
• Punto de inflamación (°C): 71°C(Lit.)
• Punto de ebullición (°C): 177°C
• Peso molecular: 229.120 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 229.033 Da
• Monoisotopic Mass: 229.033 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 220.000
• 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