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 Formule: C₈H₁₅BrO₂ Poids moléculaire: 223.11 Numéro CE: 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

Vue d’ensemble

Ethyl 6-bromohexanoate is an ω-bromoacid ester.

Specifications

Synonymes

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

Spécifications et pureté

≥98%(GC)

Application

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.

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488187543

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

CCOC(=O)CCCCCBr

WGK Allemagne

3

Numéro ONU

3272

Groupe d'emballage

III

Poids moléculaire

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
    • 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 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water (water, 64.76 mg/L at 25°C (est.)).
• Sensibilité: Light sensitive
• Indice de réfraction: 1.458
• Point d'éclair (°F): 136.4 °F
• Point d'éclair (°C): 58 °C
• Point d'ébullition (°C): 128-130 °C/16 mmHg
• Poids moléculaire: 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