2,3,4,5,6-Pentafluorobenzylphosphonic acid - ≥97% , CAS No.137174-84-6

CAS: 137174-84-6 Cat. No.: P468714 Molecular Weight: 262.07 EC Number: 687-521-2 PubChem CID: 15122078

GRADE & PURITY ≥97%

Synonyms

pentafluorobenzylphosphonic acid | perfluoro cyclohexane phosphonic acid | [(Pentafluorophenyl)methyl]phosphonic acid | (2,3,4,5,6-pentafluorophenyl)methylphosphonicacid | MFCD19053169 | AKOS037622023 | DTXSID80568552 | 2,3,4,5,6-Pentafluorobenzylphosphon

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

pentafluorobenzylphosphonic acid | perfluoro cyclohexane phosphonic acid | [(Pentafluorophenyl)methyl]phosphonic acid | (2, 3, 4, 5, 6-pentafluorophenyl)methylphosphonicacid | MFCD19053169 | AKOS037622023 | DTXSID80568552 | 2, 3, 4, 5, 6-Pentafluorobenzylphosphon

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C(C1=C(C(=C(C(=C1F)F)F)F)F)P(=O)(O)O
• IUPAC Name: (2,3,4,5,6-pentafluorophenyl)methylphosphonic acid
• InChIKey: NTUQIHXUWNQRPZ-UHFFFAOYSA-N
• INCHI: 1S/C7H4F5O3P/c8-3-2(1-16(13,14)15)4(9)6(11)7(12)5(3)10/h1H2,(H2,13,14,15)
• Isomeric SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)P(=O)(O)O
• PubChem CID: 15122078
• UN Number: 3261
• Molecular Weight: 262.07

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Organic phosphonic acids Organophosphorus compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Organophosphonic acid derivative - Organophosphonic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Heat sensitive；air sensitive
• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Melt Point(°C): 228-233℃
• Molecular Weight: 262.070 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 261.982 Da
• Monoisotopic Mass: 261.982 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 282.000
• 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. Yanfang Ren, Yunqi Wang, Yan Fang, Xiaohong Jiang, Meng Li, Ke Cheng, Zuliang Du.  (2025)  Robust ZnMgO Capped with Benzyl-Phosphonic Acid as Armor Layer Enables Efficient and Stable Quantum Dot Light-Emitting Diodes.  Advanced Optical Materials,      [PMID:] [10.1002/adom.202501388]