2,3,5,6-Tetrafluoro-1,4-benzenedimethanol - ≥97% , CAS No.92339-07-6

CAS: 92339-07-6 Cat. No.: T162226 Molecular Weight: 210.13 EC Number: 814-676-7 PubChem CID: 4098835

GRADE & PURITY ≥97%

Synonyms

2,3,5,6-Tetrafluoro-1,4-bis(hydroxymethyl)benzene | 2,3,5,6-Tetrafluoro-1,4-benzenedimethanol; 1,4-Benzenedimethanol, 2,3,5,6-tetrafluoro-; 2,3,5,6-Tetrafluoro-1,4-benzenedimethanol; 1,4-Bis(hydroxymethyl)-2,3,5,6-tetrafluorobenzene; 2,3,5,6-Tetrafluoro-p

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 3, 5, 6-Tetrafluoro-1, 4-bis(hydroxymethyl)benzene | 2, 3, 5, 6-Tetrafluoro-1, 4-benzenedimethanol; 1, 4-Benzenedimethanol, 2, 3, 5, 6-tetrafluoro-; 2, 3, 5, 6-Tetrafluoro-1, 4-benzenedimethanol; 1, 4-Bis(hydroxymethyl)-2, 3, 5, 6-tetrafluorobenzene; 2, 3, 5, 6-Tetrafluoro-p

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488194688
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194688
• Canonical Smiles: C(C1=C(C(=C(C(=C1F)F)CO)F)F)O
• IUPAC Name: [2,3,5,6-tetrafluoro-4-(hydroxymethyl)phenyl]methanol
• InChIKey: SDHKGYDQOGCLQM-UHFFFAOYSA-N
• INCHI: 1S/C8H6F4O2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h13-14H,1-2H2
• Isomeric SMILES: C(C1=C(C(=C(C(=C1F)F)CO)F)F)O
• PubChem CID: 4098835
• Molecular Weight: 210.13
• Reaxy-Rn: 4185512

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzyl alcohols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyl alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl alcohols
• Alternative Parents: Fluorobenzenes Aryl fluorides Primary alcohols Organofluorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl alcohol - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organofluoride - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
• 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Melt Point(°C): 129 °C
• Molecular Weight: 210.130 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 210.03 Da
• Monoisotopic Mass: 210.03 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 156.000
• 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

References

1. Tian Ma, Jiahao Ma, Junying Zhang, Jue Cheng, Chao Yang.  (2020)  Curing behaviors and properties of epoxy resins with para-hexatomic ring blocks: Excellent comprehensive performances of tetrafluorophenyl.  POLYMER,      [PMID:] [10.1016/j.polymer.2020.122828]

2. Songbo Xie, Jing Wang, Lida Wang, Wen Sun, Zhaoxia Lu, Guichang Liu, Baorong Hou.  (2020)  Fluorinated diols modified polythiourethane copolymer for marine antifouling coatings.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2020.105733]