Triethylamine trihydrofluoride - ≥97% , CAS No.73602-61-6

CAS: 73602-61-6 Cat. No.: T107263 Molecular Weight: 161.21 Beilstein Registry Number: 5522945 EC Number: 277-550-5 PubChem CID: 175505

GRADE & PURITY ≥97%

Synonyms

TREAT-HF | DTXSID60859455 | triethylamine trishydrofluoride | Triethylamine tris-hydrofluoride | AKOS005063657 | DTXSID2074372 | trietylamine trihydrofluoride | F0001-1857 | 3-Deoxy-3-fluorothymidine | Ethanamine, N,N-diethyl-, trihydrofluoride | Triethyl

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

Triethylamine trihydrofluoride (TREAT-HF) is a mild and selective reagent for the fluorination of a wide variety of compounds. 

Application：

Mild and selective reagent that has been used in the fluorination of a wide variety of compounds. For a review, see Aldrichimica Acta.
TREAT-HF can be used in the synthesis of:
Vicinal difluorides from epoxides.
3-fluoroazetidines.
9-(2,3-dideoxy-2-fluoro-β-d-threo-pentofuranosyl)adenine (FddA).
Multivicinal hexafluoroalkanes.
Aminomethylated 4-fluoropiperidines and 3-fluoropyrrolidines.

Specifications

Synonyms

TREAT-HF | DTXSID60859455 | triethylamine trishydrofluoride | Triethylamine tris-hydrofluoride | AKOS005063657 | DTXSID2074372 | trietylamine trihydrofluoride | F0001-1857 | 3-Deoxy-3-fluorothymidine | Ethanamine, N, N-diethyl-, trihydrofluoride | Triethyl

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, 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: CCN(CC)CC.F.F.F
• IUPAC Name: N,N-diethylethanamine;trihydrofluoride
• InChIKey: IKGLACJFEHSFNN-UHFFFAOYSA-N
• INCHI: 1S/C6H15N.3FH/c1-4-7(5-2)6-3;;;/h4-6H2,1-3H3;3*1H
• Isomeric SMILES: CCN(CC)CC.F.F.F
• WGK Germany: 3
• PubChem CID: 175505
• UN Number: 3265
• Molecular Weight: 161.21
• Beilstein: 5522945
• Reaxy-Rn: 5522945

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Trialkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.
• 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: Miscible with water, chloroform and hexanes.
• Sensitivity: Hygroscopic，Light sensitive
• Refractive Index: 1.3915
• Boil Point(°C): 70°/15mmHg
• Melt Point(°C): -29℃
• Molecular Weight: 161.210 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 161.139 Da
• Monoisotopic Mass: 161.139 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 25.700
• 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: 4

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