2,3,5,6-Tetrafluoro-p-xylene - ≥97% , CAS No.703-87-7

CAS: 703-87-7 Cat. No.: T161910 Peso molecular: 178.13 Número EC: 623-020-7 PubChem CID: 136549

GRADE & PURITY ≥97%

Synonyms

Benzene,1,2,4,5-tetrafluoro-3,6-dimethyl- | DTXSID30220572 | 1,4-Dimethyltetrafluorobenzene | MFCD00012231 | SCHEMBL926802 | FT-0632850 | T1947 | 2,3,5,6-Tetrafluoro-p-xylene | AM20041048 | tetrafluoro-p-xylene | T72855 | 1,2,4,5-tetrakis(fluoranyl)-3,6-d

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Benzene, 1, 2, 4, 5-tetrafluoro-3, 6-dimethyl- | DTXSID30220572 | 1, 4-Dimethyltetrafluorobenzene | MFCD00012231 | SCHEMBL926802 | FT-0632850 | T1947 | 2, 3, 5, 6-Tetrafluoro-p-xylene | AM20041048 | tetrafluoro-p-xylene | T72855 | 1, 2, 4, 5-tetrakis(fluoranyl)-3, 6-d

Especificaciones y pureza

≥97%

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

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C(=C(C(=C1F)F)C)F)F
• IUPAC Name: 1,2,4,5-tetrafluoro-3,6-dimethylbenzene
• InChIKey: IWKPBYPUIPVYNZ-UHFFFAOYSA-N
• INCHI: 1S/C8H6F4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H3
• Isómeros SMILES: CC1=C(C(=C(C(=C1F)F)C)F)F
• PubChem CID: 136549
• Peso molecular: 178.13
• Reaxy-Rn: 2329684

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: p-Xylenes
• Alternative Parents: Fluorobenzenes Aryl fluorides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-xylene - Halobenzene - 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 p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-positions.
• 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

• Solubilidad: Slightly soluble in Methanol
• Punto de fusión (°C): 35 °C
• Peso molecular: 178.130 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 178.041 Da
• Monoisotopic Mass: 178.041 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 127.000
• 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