6-(Cloroformil)hexanoato de etilo - ≥97% , CAS No.14794-32-2

CAS: 14794-32-2 Cat. No.: E156426 Fórmula: C₉H₁₅ClO₃ Peso molecular: 206.67 Número CE: 679-653-4

GRADE & PURITY ≥97%

Synonyms

AKOS015914080 | Éster etílico do ácido 6-(cloroformil)hexanóico | BS-43885 | 6-cloroformilhexanoato de etilo | 7-cloro-7-oxoheptanoato de etilo # | 6-(Cloroformil)hexanoato de etilo | 6-(cloroformil)-hexanoato de etilo | Ácido heptanóico, 7-cloro-7-oxo, é

Storage

Armazenar a 2-8°C, carregado com árgon

Shipped In

Gelo húmido

Specifications

Sinónimos

AKOS015914080 | Éster etílico do ácido 6-(cloroformil)hexanóico | BS-43885 | 6-cloroformilhexanoato de etilo | 7-cloro-7-oxoheptanoato de etilo # | 6-(Cloroformil)hexanoato de etilo | 6-(cloroformil)-hexanoato de etilo | Ácido heptanóico, 7-cloro-7-oxo, é

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C, carregado com árgon

Enviado em

Gelo húmido

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504759185

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759185

Sorrisos canónicos

CCOC(=O)CCCCCC(=O)Cl

IUPAC Name

ethyl 7-chloro-7-oxoheptanoate

InChIKey

NYZNYLOIPHDFKS-UHFFFAOYSA-N

INCHI

1S/C9H15ClO3/c1-2-13-9(12)7-5-3-4-6-8(10)11/h2-7H2,1H3

SMILES isoméricas

CCOC(=O)CCCCCC(=O)Cl

Peso molecular

206.67

Reaxy-Rn

1101095

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1101095&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 Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - 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

• Sensibilidade: Moisture Sensitive
• Índice de refração: 1.44
• Ponto de inflamação (°C): 93 °C
• Ponto de ebulição (°C): 141°C/17.5mmHg(lit.)
• Peso molecular: 206.660 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 206.071 Da
• Monoisotopic Mass: 206.071 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 168.000
• 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 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 14794-32-2, the molecular formula is C9H15ClO3, and the molecular weight is 206.67 g/mol. InChIKey NYZNYLOIPHDFKS-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.