1,2,4-Trifluorobenzene - ≥98%(GC) , CAS No.367-23-7

CAS: 367-23-7 Cat. No.: T161823 Peso molecular: 132.09 Beilstein Registry Number: 5(2)148 Número EC: 206-684-9 PubChem CID: 67773

GRADE & PURITY ≥98%(GC)

Synonyms

W-106595 | 1,3,4-Trifluorobenzene | 1,4-Trifluorobenzene, misnomer | PS-10254 | EINECS 206-684-9 | AC-10545 | AM61934 | 1,2,4-Trifluorobenzene # | 1,2,4-Trifluorobenzene, 98% | UNII-QWW4HNQ0L1 | AKOS005762924 | EN300-88531 | T1033 | 1,2,5-trifluorobenzene

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Product Introduction

Infrared absorption spectrum of liquid 1,2,4-trifluorobenzene has been investigated using LiF, NaCl, KBr and KRS-5 prisms. The microwave spectrum of 1,2,4-trifluorobenzene has been investigated at dry ice temperature in the frequency range of 8 to 12.4GHz.

Specifications

Sinónimos

W-106595 | 1, 3, 4-Trifluorobenzene | 1, 4-Trifluorobenzene, misnomer | PS-10254 | EINECS 206-684-9 | AC-10545 | AM61934 | 1, 2, 4-Trifluorobenzene # | 1, 2, 4-Trifluorobenzene, 98% | UNII-QWW4HNQ0L1 | AKOS005762924 | EN300-88531 | T1033 | 1, 2, 5-trifluorobenzene

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488184008
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184008
• Sonrisas canónicas: C1=CC(=C(C=C1F)F)F
• IUPAC Name: 1,2,4-trifluorobenzene
• InChIKey: PEBWOGPSYUIOBP-UHFFFAOYSA-N
• INCHI: 1S/C6H3F3/c7-4-1-2-5(8)6(9)3-4/h1-3H
• Isómeros SMILES: C1=CC(=C(C=C1F)F)F
• WGK Alemania: 3
• PubChem CID: 67773
• Número ONU: 1993
• Grupo de embalaje: II
• Peso molecular: 132.09
• Beilstein: 5(2)148
• Reaxy-Rn: 2042865

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to 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: 1.423
• Punto de inflamación (°F): 39.2 °F
• Punto de inflamación (°C): 4°C
• Punto de ebullición (°C): 88 °C/759 mmHg
• Peso molecular: 132.080 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 132.019 Da
• Monoisotopic Mass: 132.019 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.300
• 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. Xintong Wang, Jiang Yang, Xu Chen, Kunfeng Yan.  (2023)  Exploring the Effectiveness of Natural Food Flavors in Protecting Carbon Steel against CO2–Induced Corrosion.  ACS Omega,      [PMID:37663504] [10.1021/acsomega.3c03762]

2. 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]

3. Ma Baochen, Zhang Haikuo, Li Ruhong, Zhang Shuoqing, Chen Long, Zhou Tao, Wang Jinze, Zhang Ruixin, Ding Shouhong, Xiao Xuezhang, Deng Tao, Chen Lixin, Fan Xiulin.  (2024)  Molecular-docking electrolytes enable high-voltage lithium battery chemistries.  Nature Chemistry,      [PMID:39009795] [10.1038/s41557-024-01585-y]