2,2,2-Trifluoroethanol - Suitable for molecular biology, ≥99.8% , CAS No.75-89-8

CAS: 75-89-8 Cat. No.: T109511 Formula: C₂H₃F₃O Molecular Weight: 100.04 Beilstein Registry Number: 1733203 EC Number: 200-913-6 PubChem CID: 6409

GRADE & PURITY Suitable for molecular biology, ≥99.8%

Synonyms

Trifluoroethanol | trifluroethanol | 2,2,2-Trifluoroethanol redistilled from glass grade | beta, beta, beta-trifluoroethanol | DTXCID401751 | J-506750 | 2,2,2-Trifluoroethanol, NMR grade | NCGC00248871-01 | BRN 1733203 | 2.2,2-trifluoroethanol | NSC 451 |

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

2,2,2-Trifluoroethanol (TFE) is an organic compound with the chemical formula CF3CH2OH. TFE is a commonly used solvent in organic synthesis. It can also be used as a cosolvent in the experimental study of proteins and peptides.
Application
2,2,2-Trifluoroethanol can be used as a solvent:
In the synthesis of 2-amino-3-cyano-4H-chromene and tetrahydrobenzo[b]pyran derivatives by catalyst free one-pot condensation of aldehydes, malononitrile and resorcinol or dimedone.
In the N-formylation of amines with formic acid in the presence of heterogeneous ZIF-8 (zeolitic imidazolate framework) catalyst.
In the preparation of 2-substituted-2,3-dihydro-4(1H)-quinazolinone derivatives by condensation of anthranilamide with alkyl, aryl, or heteroaryl ketones or aldehydes.
In the mild and selective oxidation of sulfur compounds using H2O2(hydrogen peroxide).

Specifications

Synonyms

Trifluoroethanol | trifluroethanol | 2,2,2-Trifluoroethanol redistilled from glass grade | beta, beta, beta-trifluoroethanol | DTXCID401751 | J-506750 | 2,2,2-Trifluoroethanol, NMR grade | NCGC00248871-01 | BRN 1733203 | 2.2,2-trifluoroethanol | NSC 451 |

Specifications & Purity

Suitable for molecular biology, ≥99.8%

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Grade

Suitable for molecular biology

Purity

≥99.8%

Names and Identifiers

Canonical Smiles

C(C(F)(F)F)O

IUPAC Name

2,2,2-trifluoroethanol

InChIKey

RHQDFWAXVIIEBN-UHFFFAOYSA-N

INCHI

1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2

Isomeric SMILES

C(C(F)(F)F)O

WGK Germany

1

RTECS

KM5250000

PubChem CID

6409

UN Number

1986

Packing Group

III

Molecular Weight

100.04

Beilstein

1733203

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: fluoroalcohol

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: 1.2907
• Flash Point(°F): 84°F
• Flash Point(°C): 29℃
• Boil Point(°C): 77-80°C
• Melt Point(°C): -45°C
• Molecular Weight: 100.040 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 100.014 Da
• Monoisotopic Mass: 100.014 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 38.500
• 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