6,8-diclorooctanoato de etilo - ≥95% , CAS No.1070-64-0

CAS: 1070-64-0 Cat. No.: E165718 Fórmula: C₁₀H₁₈Cl₂O₂ Peso molecular: 241.15 Número CE: 435-080-1

GRADE & PURITY ≥95%

Synonyms

AKOS015848527 | ethyl-6,8-dichlorooctanoate | Ethyl6,8-dichlorooctanoate | O11809 | 6,8-Dichloro ethyl caprylate | SCHEMBL5480353 | FT-0602570 | J-001695 | Ethyl 6,8-dichlorooctanoate, 95% | DS-1036 | 4-02-00-00998 (Beilstein Handbook Reference) | OCTANOI

Storage

Armazenar a 2-8°C

Shipped In

Gelo húmido

Visão geral

o éster etílico do ácido 6,8-diclorooctanóico é uma toxina industrial e um produto intermediário da síntese do ácido lipóico.

Specifications

Sinónimos

AKOS015848527 | ethyl-6,8-dichlorooctanoate | Ethyl6,8-dichlorooctanoate | O11809 | 6,8-Dichloro ethyl caprylate | SCHEMBL5480353 | FT-0602570 | J-001695 | Ethyl 6,8-dichlorooctanoate, 95% | DS-1036 | 4-02-00-00998 (Beilstein Handbook Reference) | OCTANOI

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C

Enviado em

Gelo húmido

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 504752517
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752517
• Sorrisos canónicos: CCOC(=O)CCCCC(CCCl)Cl
• IUPAC Name: ethyl 6,8-dichlorooctanoate
• InChIKey: RFYDWSNYTVVKBR-UHFFFAOYSA-N
• INCHI: 1S/C10H18Cl2O2/c1-2-14-10(13)6-4-3-5-9(12)7-8-11/h9H,2-8H2,1H3
• SMILES isoméricas: CCOC(=O)CCCCC(CCCl)Cl
• WGK Alemanha: 2
• Peso molecular: 241.15
• Reaxy-Rn: 1771820
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1771820&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty 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

• Solubilidade: Slightly soluble in ethyl acetate, chloroform
• Índice de refração: 1.462
• Ponto de inflamação (°F): 230 °F
• Ponto de inflamação (°C): 110 °C
• Peso molecular: 241.150 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 240.068 Da
• Monoisotopic Mass: 240.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 151.000
• 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 ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 1070-64-0, the molecular formula is C10H18Cl2O2, and the molecular weight is 241.15 g/mol. InChIKey RFYDWSNYTVVKBR-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.