Trifluoressigsäure(TFA) - UltraPureChrom™, für LC-MS, ≥99,5% , CAS No.76-05-1

CAS: 76-05-1 Cat. No.: T103297 Summenformel: CF₃COOH Molekulargewicht: 114.02 Beilstein Registry Number: 742035 EG-Nummer: 200-929-3

GRADE & PURITY UltraPureChrom™, for LC-MS, ≥99.5%

Synonyms

TFA | EN300-19296 | Flurtamon TP1 | Perfluoressigsäure | BP-20560 | Trifluoracetat | Trifluoressigsäure, >=99,995% Spurenmetalle | Essigsäure, Trifluor- | EC 200-929-3 | Trifluoressigsäure | Trifluoressigsäure, Handelsqualität | UNII-E5R8

Storage

Argon charged,Desiccated,Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyme

TFA | EN300-19296 | Flurtamon TP1 | Perfluoressigsäure | BP-20560 | Trifluoracetat | Trifluoressigsäure, >=99,995% Spurenmetalle | Essigsäure, Trifluor- | EC 200-929-3 | Trifluoressigsäure | Trifluoressigsäure, Handelsqualität | UNII-E5R8

Spezifikationen & Reinheit

UltraPureChrom™, für LC-MS, ≥99,5%

Storage

Argon charged,Desiccated,Room temperature

Verschickt in

FedEx DG Service

Note

for LC-MS, UltraPureChrom™

Reinheit

≥99.5%

Namen und Kennungen

Pubchem Sid

528769056

Kanonisches Lächeln

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

IUPAC Name

2,2,2-trifluoroacetic acid

InChIKey

DTQVDTLACAAQTR-UHFFFAOYSA-N

INCHI

1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)

Isomere SMILES

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

WGK Deutschland

2

RTECS

AJ9625000

UN-Nummer

2699

Verpackungsgruppe

I

Molekulargewicht

114.02

Beilstein

742035

Reaxy-Rn

742035

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742035&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
• External Descriptors: organofluorine compound - monocarboxylic acid

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic
• Brechungsindex: n20/D 1.3 (lit.)
• Flammpunkt (°C): >100°C
• Siedepunkt (°C): 72-73°
• Schmelzpunkt (°C): -15°
• Molekulargewicht: 114.020 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 113.993 Da
• Monoisotopic Mass: 113.993 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 83.400
• 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