3-(Trifluoromethyl)phenyltrimethylammonium Iodide - ≥98%(T) , CAS No.27389-57-7

CAS: 27389-57-7 Cat. No.: T162212 Peso molecular: 331.12 PubChem CID: 2760773

GRADE & PURITY ≥98%(T)

Synonyms

Trimethyl[3-(trifluoromethyl)phenyl]ammonium iodide | trimethyl-[3-(trifluoromethyl)phenyl]azanium;iodide | Trifluoromethylphenyltrimethylammoniumiodide; 98% | 3-(Trifluoromethyl)phenyltrimethylammoniumIodide | N,N,N-trimethyl-3-(trifluoromethyl)anilinium

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Trimethyl[3-(trifluoromethyl)phenyl]ammonium iodide | trimethyl-[3-(trifluoromethyl)phenyl]azanium;iodide | Trifluoromethylphenyltrimethylammoniumiodide; 98% | 3-(Trifluoromethyl)phenyltrimethylammoniumIodide | N, N, N-trimethyl-3-(trifluoromethyl)anilinium

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 488193180
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193180
• Sonrisas canónicas: C[N+](C)(C)C1=CC=CC(=C1)C(F)(F)F.[I-]
• IUPAC Name: trimethyl-[3-(trifluoromethyl)phenyl]azanium;iodide
• InChIKey: VKZIUXSJJSEBAK-UHFFFAOYSA-M
• INCHI: 1S/C10H13F3N.HI/c1-14(2,3)9-6-4-5-8(7-9)10(11,12)13;/h4-7H,1-3H3;1H/q+1;/p-1
• Isómeros SMILES: C[N+](C)(C)C1=CC=CC(=C1)C(F)(F)F.[I-]
• PubChem CID: 2760773
• Peso molecular: 331.12
• Reaxy-Rn: 4049537

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 Quaternary ammonium salts Organopnictogen compounds Organofluorides Organic iodide salts Hydrocarbon derivatives Amines Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Aniline or substituted anilines - Quaternary ammonium salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - 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

• Punto de fusión (°C): 243 °C
• Peso molecular: 331.120 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 331.004 Da
• Monoisotopic Mass: 331.004 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 193.000
• 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: 2

XLogP3

Referencias

1. Yichen Dou, Pin Lv, Zhangwei Yuan, Wenjuan Xiong, Jiace Liang, Yong Peng, Guijie Liang, Zhiliang Ku.  (2024)  Enhanced Buried Interface Engineering for Efficient Inverted Perovskite Solar Cells Fabricated via Vapor–Solid Reaction.  Small Methods,      [PMID:39279567] [10.1002/smtd.202401339]