Ethyl 2-fluoropropionate - ≥97%(GC) , CAS No.349-43-9

CAS: 349-43-9 Cat. No.: E135615 Formula: C₅H₉FO₂ Molecular Weight: 120.12 Beilstein Registry Number: 2(4)734 EC Number: 638-940-4

GRADE & PURITY ≥97%(GC)

Synonyms

2-Fluoropropionic Acid Ethyl Ester | FT-0649627 | E0663 | J-521309 | NSC102760 | NSC-102760 | STL557721 | Ethyl 2-Fluoro Propionate | AKOS005063323 | tert-butyl 3-(2-methoxy-5-(3-methylisoxazol-5-yl)pyrimidin-4-yl)piperidine-1-carboxylate | FT-0632002 | S

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Fluoropropionic Acid Ethyl Ester | FT-0649627 | E0663 | J-521309 | NSC102760 | NSC-102760 | STL557721 | Ethyl 2-Fluoro Propionate | AKOS005063323 | tert-butyl 3-(2-methoxy-5-(3-methylisoxazol-5-yl)pyrimidin-4-yl)piperidine-1-carboxylate | FT-0632002 | S

Specifications & Purity

≥97%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488189160
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189160
• Canonical Smiles: CCOC(=O)C(C)F
• IUPAC Name: ethyl 2-fluoropropanoate
• InChIKey: ODMITNOQNBVSQG-UHFFFAOYSA-N
• INCHI: 1S/C5H9FO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3
• Isomeric SMILES: CCOC(=O)C(C)F
• Molecular Weight: 120.12
• Beilstein: 2(4)734
• Reaxy-Rn: 1744786
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744786&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Chemical and Physical Properties

• Refractive Index: 1.38
• Flash Point(°C): 30 °C
• Boil Point(°C): 121 °C
• Molecular Weight: 120.120 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 120.059 Da
• Monoisotopic Mass: 120.059 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 82.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 349-43-9, the molecular formula is C5H9FO2, and the molecular weight is 120.12 g/mol. InChIKey ODMITNOQNBVSQG-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.