11-Bromoundecanoato de etilo - ≥96%(GC) , CAS No.6271-23-4

CAS: 6271-23-4 Cat. No.: E135231 Fórmula: C₁₃H₂₅BrO₂ Peso molecular: 293.25 Beilstein Registry Number: 2(4)1073 Número CE: 653-977-6

GRADE & PURITY ≥96%(GC)

Synonyms

AMY40754 | Éster etílico do ácido 11-bromoundecanóico | B2242 | DTXSID60284203 | AS-58456 | 11-bromoundecanoato de etilo | 11-bromoundecanoato de etilo | BROMETO DE ARSÉNIO(III) | MFCD00045048 | D88912 | AKOS024333956 | 11-bromoundecanoato de etilo # | Ác

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AMY40754 | Éster etílico do ácido 11-bromoundecanóico | B2242 | DTXSID60284203 | AS-58456 | 11-bromoundecanoato de etilo | 11-bromoundecanoato de etilo | BROMETO DE ARSÉNIO(III) | MFCD00045048 | D88912 | AKOS024333956 | 11-bromoundecanoato de etilo # | Ác

Especificações e pureza

≥96%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥96%(GC)

Nomes e identificadores

• Pubchem Sid: 504758017
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758017
• Sorrisos canónicos: CCOC(=O)CCCCCCCCCCBr
• IUPAC Name: ethyl 11-bromoundecanoate
• InChIKey: RGWOAXNKJWTDFA-UHFFFAOYSA-N
• INCHI: 1S/C13H25BrO2/c1-2-16-13(15)11-9-7-5-3-4-6-8-10-12-14/h2-12H2,1H3
• SMILES isoméricas: CCOC(=O)CCCCCCCCCCBr
• Peso molecular: 293.25
• Beilstein: 2(4)1073
• Reaxy-Rn: 1774456
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1774456&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
• 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

• Índice de refração: 1.46
• Peso molecular: 293.240 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 292.104 Da
• Monoisotopic Mass: 292.104 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 160.000
• 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