Ethyl 2-bromo-2-ethylbutanoate - ≥98% , CAS No.6937-28-6

CAS: 6937-28-6 Cat. No.: E589911 Summenformel: C₈H₁₅BrO₂ Molekulargewicht: 223.11

GRADE & PURITY ≥98%

Synonyms

ethyl 2-bromo-2-ethylbutanoate | AS-65347 | alpha-Bromodiethylacetic Acid Ethyl Ester | C13923 | SCHEMBL3987636 | ethylalpha-bromodiethylacetate | MFCD00017856 | AKOS025402676 | Butanoic acid, 2-bromo-2-ethyl-, ethyl ester | ETHYL alpha-BROMODIETHYLACETAT

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

ethyl 2-bromo-2-ethylbutanoate | AS-65347 | alpha-Bromodiethylacetic Acid Ethyl Ester | C13923 | SCHEMBL3987636 | ethylalpha-bromodiethylacetate | MFCD00017856 | AKOS025402676 | Butanoic acid, 2-bromo-2-ethyl-, ethyl ester | ETHYL alpha-BROMODIETHYLACETAT

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

CCC(CC)(C(=O)OCC)Br

IUPAC Name

ethyl 2-bromo-2-ethylbutanoate

InChIKey

YIFZOOLBLJRSBG-UHFFFAOYSA-N

INCHI

1S/C8H15BrO2/c1-4-8(9,5-2)7(10)11-6-3/h4-6H2,1-3H3

Isomere SMILES

CCC(CC)(C(=O)OCC)Br

NSC-Nummer

NSC Number': ['41719

Molekulargewicht

223.11

Reaxy-Rn

1760846

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1760846&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: Alpha-halocarboxylic acid derivatives 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 - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Carbonyl group - Alkyl bromide - Alkyl halide - Hydrocarbon derivative - Organic oxide - 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

• Molekulargewicht: 223.110 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• 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: 130.000
• 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