Ethyl 2-fluoro-4-iodo-benzoate - ≥97% , CAS No.205750-82-9

CAS: 205750-82-9 Cat. No.: E631449 Fórmula: C₉H₈O₂FI Peso molecular: 294.06 PubChem CID: 18761561

GRAU & PUREZA ≥97%

Synonyms

FS-5768 | AKOS015890641 | SY287729 | Ethyl 2-Fluoro-4-iodobenzoate | Ethyl2-fluoro-4-iodobenzoate | F20084 | FT-0652231 | Benzoic acid, 2-fluoro-4-iodo-, ethyl ester | A814710 | ZXUWYQWFYLDBII-UHFFFAOYSA-N | DTXSID00596039 | MFCD11846099 | SCHEMBL539982

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

Especificações

Sinónimos

FS-5768 | AKOS015890641 | SY287729 | Ethyl 2-Fluoro-4-iodobenzoate | Ethyl2-fluoro-4-iodobenzoate | F20084 | FT-0652231 | Benzoic acid, 2-fluoro-4-iodo-, ethyl ester | A814710 | ZXUWYQWFYLDBII-UHFFFAOYSA-N | DTXSID00596039 | MFCD11846099 | SCHEMBL539982

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Enviado em

Wet ice

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)C1=C(C=C(C=C1)I)F

IUPAC Name

ethyl 2-fluoro-4-iodobenzoate

InChIKey

ZXUWYQWFYLDBII-UHFFFAOYSA-N

INCHI

1S/C9H8FIO2/c1-2-13-9(12)7-4-3-6(11)5-8(7)10/h3-5H,2H2,1H3

SMILES isoméricas

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

CAS alternativo

205750-82-9

PubChem CID

18761561

Peso molecular

294.06

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: 4-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Benzoyl derivatives Iodobenzenes Fluorobenzenes Aryl iodides Aryl fluorides Vinylogous halides Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organoiodides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Iodobenzene - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Aryl iodide - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organic oxygen compound - Organoiodide - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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
• Peso molecular: 294.060 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 293.955 Da
• Monoisotopic Mass: 293.955 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 186.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. 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 205750-82-9, the molecular formula is C9H8O2FI, and the molecular weight is 294.06 g/mol. InChIKey ZXUWYQWFYLDBII-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.