2,2,3,3,3-Pentafluoro-1-propanol (PFPOH) - ≥98% , CAS No.422-05-9

CAS: 422-05-9 Cat. No.: P122806 Molecular Weight: 150.05 Beilstein Registry Number: 1743133 EC Number: 207-012-7

GRADE & PURITY ≥98%

Synonyms

J-506765 | Pentafluoro-1-propanol | NSC 66413 | SCHEMBL20828 | 1,1-Dihydroperfluoropropanol | EN300-21115 | FD2073 | 1H,1H-perfluoropropanol | PSQZJKGXDGNDFP-UHFFFAOYSA- | SY018658 | Q27277290 | EPJ1S961SN | 1H,1H-Pentafluoro-1-propanol | AKOS000121412

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Overview

Generates fluorinated alpha-keto ethers with alkenes and has wide applications in the expanding fluorous research area Preparation of trifluoromethyl ynamines which, in turn, converted aldehydes to α-trifluoromethyl-α,β-uns?aturated amides.

Application：

2,2,3,3,3-Pentafluoro-1-propanol has been used:
as derivatization reagent in detection of unlabeled and 15N2 -labeled L-tryptophan, L-kynurenine, serotonin and quinolinic acid in human and rat plasma by GC-MS.
as derivatization reagent in simultaneous analysis of cocaine, cocaethylene and their possible metabolic and pyrolytic products in blood, urine and muscle by GC-MS.
preparation of trifluoromethyl ynamines which, in turn, converted aldehydes to α-trifluoromethyl-α,β-unsaturated amides.
to generate fluorinated α-keto ethers with alkenes and has wide applications in the expanding fluorous research area.

Specifications

Synonyms

J-506765 | Pentafluoro-1-propanol | NSC 66413 | SCHEMBL20828 | 1, 1-Dihydroperfluoropropanol | EN300-21115 | FD2073 | 1H, 1H-perfluoropropanol | PSQZJKGXDGNDFP-UHFFFAOYSA- | SY018658 | Q27277290 | EPJ1S961SN | 1H, 1H-Pentafluoro-1-propanol | AKOS000121412

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181042
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181042
• Canonical Smiles: C(C(C(F)(F)F)(F)F)O
• IUPAC Name: 2,2,3,3,3-pentafluoropropan-1-ol
• InChIKey: PSQZJKGXDGNDFP-UHFFFAOYSA-N
• INCHI: 1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2
• Isomeric SMILES: C(C(C(F)(F)F)(F)F)O
• WGK Germany: 3
• Molecular Weight: 150.05
• Beilstein: 1743133
• Reaxy-Rn: 1743133
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743133&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Halohydrins
      • Subclass Fluorohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Halohydrins
• Subclass: Fluorohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorohydrins
• Alternative Parents: Primary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fluorohydrin - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorohydrins. These are alcohols substituted by a fluorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Refractive Index: 1.288
• Boil Point(°C): 80°C/748mmHg
• Molecular Weight: 150.050 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 150.01 Da
• Monoisotopic Mass: 150.01 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.900
• 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