1,4-Bis(trifluoromethyl)benzene - ≥99% , CAS No.433-19-2

CAS: 433-19-2 Cat. No.: B103083 Peso molecular: 214.11 Beilstein Registry Number: 5(3)853 Número EC: 207-086-0

GRADE & PURITY ≥99%

Synonyms

A7C3RX7Y2R | SCHEMBL63468 | A,A,A,A',A'-hexafluoro-p-xylene | B1408 | MFCD00000402 | AC-13881 | p-Bis(trifluoromethyl)benzene | .alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-Hexafluoro-p-xylene | EN300-20090 | p-trifluoromethylbenzotrifluoride | .alpha.,.alp

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

A7C3RX7Y2R | SCHEMBL63468 | A, A, A, A', A'-hexafluoro-p-xylene | B1408 | MFCD00000402 | AC-13881 | p-Bis(trifluoromethyl)benzene | .alpha., .alpha., .alpha.', .alpha.', .alpha.'-Hexafluoro-p-xylene | EN300-20090 | p-trifluoromethylbenzotrifluoride | .alpha., .alp

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504754224
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754224
• Sonrisas canónicas: C1=CC(=CC=C1C(F)(F)F)C(F)(F)F
• IUPAC Name: 1,4-bis(trifluoromethyl)benzene
• InChIKey: PDCBZHHORLHNCZ-UHFFFAOYSA-N
• INCHI: 1S/C8H4F6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H
• Isómeros SMILES: C1=CC(=CC=C1C(F)(F)F)C(F)(F)F
• WGK Alemania: 3
• Número ONU: 1993
• Peso molecular: 214.11
• Beilstein: 5(3)853
• Reaxy-Rn: 1912445
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1912445&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: Organofluorides Hydrofluorocarbons Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - 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 sensitive
• Índice de refracción: 1.379
• Punto de inflamación (°F): 71.6 °F
• Punto de inflamación (°C): 22 °C
• Punto de ebullición (°C): 116°C
• Punto de fusión (°C): -1 °C
• Peso molecular: 214.110 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 214.022 Da
• Monoisotopic Mass: 214.022 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 161.000
• 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. Zhentao Li, Zhenkun Mao, Changjun Hu, Qiaoyan Li, Zilin Chen.  (2020)  Fluoro-functionalized stationary phases for electrochromatographic separation of organic fluorides.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:32709321] [10.1016/j.chroma.2020.461269]

2. Huiyan Zhang, Yufan Peng, Ke Zhang, Shijun Tang, Yimin Wei, Jinding Liang, Yanting Jin, Yong Yang.  (2024)  Protocol for Quantifying All Electrolyte Compositions in Aged Lithium-ion Batteries.  Batteries & Supercaps,      [PMID:] [10.1002/batt.202400341]

3. Jinglei Xing, Lei Yang, Tianci Ma, Xingzhong Fang, Long Wang, Guofei Chen.  (2025)  Synthesis and characterization of high heat-resistant transparent polyimides derived from terphenyl-containing diamines with different side group substitutions.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2025.114428]