Ethyl 5-Bromovalerate - ≥97%(GC) , CAS No.14660-52-7

CAS: 14660-52-7 Cat. No.: E156150 Summenformel: C₇H₁₃BrO₂ Molekulargewicht: 209.08 EG-Nummer: 238-705-2

GRADE & PURITY ≥97%(GC)

Synonyms

5-bromo valeric acid ethyl ester | Pentanoic acid, 5-bromo-, ethyl ester | W-109031 | 2H-1,2-THIAZINE, TETRAHYDRO-, 1,1-DIOXIDE | 5-Bromopentanoate ethyl ester | NSC190642 | Valeric acid, 5-bromo-, ethyl ester | AG6TP2H7HL | BP-12642 | FT-0620182 | 5-brom

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

Ethyl 5-bromovalerate was used in the preparation of S(γ-Carboxypropyl)-DL-homocysteine and S(δ-Carboxybutyl)-DL-homocysteine. It was also used in the preparation of ethyl 5-azidovalerate.

Specifications

Synonyme

5-bromo valeric acid ethyl ester | Pentanoic acid, 5-bromo-, ethyl ester | W-109031 | 2H-1,2-THIAZINE, TETRAHYDRO-, 1,1-DIOXIDE | 5-Bromopentanoate ethyl ester | NSC190642 | Valeric acid, 5-bromo-, ethyl ester | AG6TP2H7HL | BP-12642 | FT-0620182 | 5-brom

Spezifikationen & Reinheit

≥97%(GC)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥97%(GC)

Namen und Kennungen

• Pubchem Sid: 488186260
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186260
• Kanonisches Lächeln: CCOC(=O)CCCCBr
• IUPAC Name: ethyl 5-bromopentanoate
• InChIKey: AFRWBGJRWRHQOV-UHFFFAOYSA-N
• INCHI: 1S/C7H13BrO2/c1-2-10-7(9)5-3-4-6-8/h2-6H2,1H3
• Isomere SMILES: CCOC(=O)CCCCBr
• WGK Deutschland: 3
• Molekulargewicht: 209.08
• Reaxy-Rn: 1752023
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1752023&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Not miscible or difficult to mix in water.
• Empfindlichkeit: Light Sensitive.
• Brechungsindex: 1.458
• Flammpunkt (°F): 217 °F
• Flammpunkt (°C): 103 °C
• Siedepunkt (°C): 104-109 °C/12 mmHg
• Molekulargewicht: 209.080 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 208.01 Da
• Monoisotopic Mass: 208.01 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 93.600
• 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

Referenzen

1. Wensi Li, Shengyu Feng.  (2021)  New Functionalized Ionic Liquids Based on POSS for the Detection of Fe3+ Ion.  Polymers,  13  (2): (196).  [PMID:33430471] [10.3390/polym13020196]

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 14660-52-7, the molecular formula is C7H13BrO2, and the molecular weight is 209.08 g/mol. InChIKey AFRWBGJRWRHQOV-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.