Ethyl trifluoroacetate - ≥99% , CAS No.383-63-1

CAS: 383-63-1 Cat. No.: E105562 Fórmula: C₄H₅F₃O₂ Peso molecular: 142.08 Beilstein Registry Number: 1761411 Número CE: 206-851-6

GRAU & PUREZA ≥99%

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Especificações

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

FedEx DG Service

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

504751868

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751868

Sorrisos canónicos

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

IUPAC Name

ethyl 2,2,2-trifluoroacetate

InChIKey

STSCVKRWJPWALQ-UHFFFAOYSA-N

INCHI

1S/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

SMILES isoméricas

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

WGK Alemanha

1

CAS alternativo

383-63-1

Número NSC

220215

Número UN

1993

Grupo de embalagem

II

Peso molecular

142.08

Beilstein

1761411

Reaxy-Rn

1761411

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1761411&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propriedades químicas e físicas

• Solubilidade: Slightly miscible with water. Miscible with chloroform and methanol.
• Sensibilidade: Moisture sensitive.
• Índice de refração: 1.3073
• Ponto de inflamação (°F): 30.2 °F
• Ponto de inflamação (°C): -1℃
• Ponto de ebulição (°C): 61.7°C
• Ponto de fusão (°C): <-78°C
• Peso molecular: 142.080 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 142.024 Da
• Monoisotopic Mass: 142.024 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 107.000
• 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: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 383-63-1, the molecular formula is C4H5F3O2, and the molecular weight is 142.08 g/mol. InChIKey STSCVKRWJPWALQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.