Butyl Fluoroacetate - ≥97% , CAS No.371-49-3

CAS: 371-49-3 Cat. No.: B151947 Summenformel: C₆H₁₁FO₂ Molekulargewicht: 134.15 EG-Nummer: 206-739-7

GRADE & PURITY ≥97%

Synonyms

FT-0676315 | n-Butyl fluoroacetate | AKOS006227788 | N-BUTYLFLUOROACETATE | EINECS 206-739-7 | Fluoroacetic Acid Butyl Ester | AAV6L4GMX9 | ACETIC ACID, 2-FLUORO-, BUTYL ESTER | SCHEMBL8794423 | D90645 | butyl 2-fluoroacetate | Butyl fluoroacetate | MFCD0

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyme

FT-0676315 | n-Butyl fluoroacetate | AKOS006227788 | N-BUTYLFLUOROACETATE | EINECS 206-739-7 | Fluoroacetic Acid Butyl Ester | AAV6L4GMX9 | ACETIC ACID, 2-FLUORO-, BUTYL ESTER | SCHEMBL8794423 | D90645 | butyl 2-fluoroacetate | Butyl fluoroacetate | MFCD0

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

CCCCOC(=O)CF

IUPAC Name

butyl 2-fluoroacetate

InChIKey

FZXXGBGMLALCIH-UHFFFAOYSA-N

INCHI

1S/C6H11FO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3

Isomere SMILES

CCCCOC(=O)CF

Molekulargewicht

134.15

Reaxy-Rn

1749481

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749481&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 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°C): 44 °C
• Siedepunkt (°C): 154°C
• Molekulargewicht: 134.150 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 134.074 Da
• Monoisotopic Mass: 134.074 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 83.100
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 371-49-3, the molecular formula is C6H11FO2, and the molecular weight is 134.15 g/mol. InChIKey FZXXGBGMLALCIH-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.