Ethyl 2-Iodopropionate - ≥97%(GC) , CAS No.31253-08-4

CAS: 31253-08-4 Cat. No.: E156364 Fórmula: C₅H₉IO₂ Peso molecular: 228.03 Número CE: 811-817-4

GRADE & PURITY ≥97%(GC)

Synonyms

MFCD02258628 | AKOS037645156 | ETHYL2-IODOPROPIONATE | D90599 | Ethyl 2-iodopropanoate | E1198 | ETHYL 2-IODOPROPIONATE | AS-57763 | SCHEMBL506645 | AVMMXNKUHBWIMU-UHFFFAOYSA-N | DTXSID20448465 | 2-Iodopropionic Acid Ethyl Ester | SY056439

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

MFCD02258628 | AKOS037645156 | ETHYL2-IODOPROPIONATE | D90599 | Ethyl 2-iodopropanoate | E1198 | ETHYL 2-IODOPROPIONATE | AS-57763 | SCHEMBL506645 | AVMMXNKUHBWIMU-UHFFFAOYSA-N | DTXSID20448465 | 2-Iodopropionic Acid Ethyl Ester | SY056439

Especificações e pureza

≥97%(GC)

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%(GC)

Nomes e identificadores

• Pubchem Sid: 504765736
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765736
• Sorrisos canónicos: CCOC(=O)C(C)I
• IUPAC Name: ethyl 2-iodopropanoate
• InChIKey: AVMMXNKUHBWIMU-UHFFFAOYSA-N
• INCHI: 1S/C5H9IO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3
• SMILES isoméricas: CCOC(=O)C(C)I
• Peso molecular: 228.03
• Reaxy-Rn: 1720848
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720848&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 Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl iodides
• 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 - Organoiodide - Organohalogen compound - Carbonyl group - Alkyl iodide - Alkyl halide - 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

• Sensibilidade: Light Sensitive,Air Sensitive,Heat Sensitive
• Índice de refração: 1.5
• Ponto de inflamação (°C): 70 °C
• Ponto de ebulição (°C): 79°C/28mmHg(lit.)
• Peso molecular: 228.030 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 227.965 Da
• Monoisotopic Mass: 227.965 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

Perguntas frequentes

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 ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 31253-08-4, the molecular formula is C5H9IO2, and the molecular weight is 228.03 g/mol. InChIKey AVMMXNKUHBWIMU-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.