Pyridine trifluoroacetate - ≥98% , CAS No.464-05-1

CAS: 464-05-1 Cat. No.: P303764 Molecular Weight: 193.12 EC Number: 207-345-8 PubChem CID: 309472

GRADE & PURITY ≥98%

Synonyms

MFCD00013072 | Pyridine 2,2,2-trifluoroacetic acid | Pyridine trifluoroacetate, 98% | FT-0632171 | Pyridine 2,2,2-trifluoroacetate | DTXSID00196831 | AM10013 | pyridine;2,2,2-trifluoroacetic acid | Pyridinium trifluoroacetate | pyridine; 2,2,2-trifluoroac

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Overview

Product Introduction

Pyridine trifluoroacetate forms reversed micelles with alkylammonium carboxylates in benzene.

Application

Pyridine Trifluoroacetate may be used as a catalyst, coupling agent or reacting solvent.

Specifications

Synonyms

MFCD00013072 | Pyridine 2, 2, 2-trifluoroacetic acid | Pyridine trifluoroacetate, 98% | FT-0632171 | Pyridine 2, 2, 2-trifluoroacetate | DTXSID00196831 | AM10013 | pyridine;2, 2, 2-trifluoroacetic acid | Pyridinium trifluoroacetate | pyridine; 2, 2, 2-trifluoroac

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged, Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488189422
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189422
• Canonical Smiles: C1=CC=NC=C1.C(=O)(C(F)(F)F)O
• IUPAC Name: pyridine;2,2,2-trifluoroacetic acid
• InChIKey: NRTYMEPCRDJMPZ-UHFFFAOYSA-N
• INCHI: 1S/C5H5N.C2HF3O2/c1-2-4-6-5-3-1;3-2(4,5)1(6)7/h1-5H;(H,6,7)
• Isomeric SMILES: C1=CC=NC=C1.C(=O)(C(F)(F)F)O
• WGK Germany: 3
• PubChem CID: 309472
• Molecular Weight: 193.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Pyridine - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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: water: soluble 5%, clear, colorless
• Sensitivity: Air & Moisture sensitive
• Melt Point(°C): 81-85°C
• Molecular Weight: 193.120 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 193.035 Da
• Monoisotopic Mass: 193.035 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 114.000
• 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: 2

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