Ethyl 6-Bromohexanoate - ≥98%(GC), used for Ethyl 6-bromohexanoate was used in the preparation of various carnitine derivatives in a carnitine transporter study.It was also used for alkylation of pentane-2,4-dione. various applications , CAS No.25542-62-5

CAS: 25542-62-5 Cat. No.: E156144 Fórmula: C₈H₁₅BrO₂ Peso molecular: 223.11 Número EC: 247-085-2

GRADE & PURITY ≥98%(GC)

Synonyms

Hexanoic acid, 6-bromo-, ethyl ester | 6-Bromohexanoic acid ethyl ester | 6-bromo-hexanoic acid ethyl ester

Storage

Room temperature,Desiccated

Shipped In

Normal

Descripción general

Ethyl 6-bromohexanoate is an ω-bromoacid ester.

Specifications

Sinónimos

Hexanoic acid, 6-bromo-, ethyl ester | 6-Bromohexanoic acid ethyl ester | 6-bromo-hexanoic acid ethyl ester

Especificaciones y pureza

≥98%(GC)

Aplicación

Ethyl 6-bromohexanoate was used in the preparation of various carnitine derivatives in a carnitine transporter study.It was also used for alkylation of pentane-2,4-dione.

Condiciones de almacenamiento de almacenamiento

Room temperature,Desiccated

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

488187543

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187543

Sonrisas canónicas

CCOC(=O)CCCCCBr

IUPAC Name

ethyl 6-bromohexanoate

InChIKey

DXBULVYHTICWKT-UHFFFAOYSA-N

INCHI

1S/C8H15BrO2/c1-2-11-8(10)6-4-3-5-7-9/h2-7H2,1H3

Isómeros SMILES

CCOC(=O)CCCCCBr

WGK Alemania

3

Número ONU

3272

Grupo de embalaje

III

Peso molecular

223.11

Reaxy-Rn

1756051

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1756051&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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 Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• 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 - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water (water, 64.76 mg/L at 25°C (est.)).
• Sensibilidad: Light sensitive
• Índice de refracción: 1.458
• Punto de inflamación (°F): 136.4 °F
• Punto de inflamación (°C): 58 °C
• Punto de ebullición (°C): 128-130 °C/16 mmHg
• Peso molecular: 223.110 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 222.026 Da
• Monoisotopic Mass: 222.026 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 104.000
• 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