Ethyl α-Iodophenylacetate - ≥97% , CAS No.78489-65-3

CAS: 78489-65-3 Cat. No.: E156366 Fórmula: C₁₀H₁₁IO₂ Peso molecular: 290.1 Número CE: 834-033-4

GRAU & PUREZA ≥97%

Synonyms

2-Iodo-2-phenylacetic Acid Ethyl Ester|ethyl 2-iodo-2-phenylacetate|Ethyl alpha-Iodophenylacetate|alpha-Iodophenylacetic Acid Ethyl Ester|Ethylalpha-Iodophenylacetate|α-Iodophenylacetic Acid Ethyl Ester

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

2-Iodo-2-phenylacetic Acid Ethyl Ester | ethyl 2-iodo-2-phenylacetate | Ethyl alpha-Iodophenylacetate | alpha-Iodophenylacetic Acid Ethyl Ester | Ethylalpha-Iodophenylacetate | α-Iodophenylacetic Acid Ethyl Ester

Especificações e pureza

≥97%

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%

Nomes e identificadores

Sorrisos canónicos

CCOC(=O)C(C1=CC=CC=C1)I

IUPAC Name

ethyl 2-iodo-2-phenylacetate

InChIKey

GFYUBPKXVMWINH-UHFFFAOYSA-N

INCHI

1S/C10H11IO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3

SMILES isoméricas

CCOC(=O)C(C1=CC=CC=C1)I

Peso molecular

290.1

Reaxy-Rn

6859197

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6859197&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Alpha-halocarboxylic acid derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl iodides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Carbonyl group - Alkyl iodide - Alkyl halide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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,Heat Sensitive
• Índice de refração: 1.58
• Ponto de inflamação (°C): 137 °C
• Peso molecular: 290.100 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 289.98 Da
• Monoisotopic Mass: 289.98 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 164.000
• 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?

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 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 78489-65-3, the molecular formula is C10H11IO2, and the molecular weight is 290.1 g/mol. InChIKey GFYUBPKXVMWINH-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.