Methyl 11-Bromoundecanoate - ≥97%(GC) , CAS No.6287-90-7

CAS: 6287-90-7 Cat. No.: M157817 Peso molecular: 279.22

GRADE & PURITY ≥97%(GC)

Synonyms

11-bromoundecanoic acid methyl ester | SY052226 | FT-0636069 | 11-Bromo undecanoic acid methyl ester | Undecanoic acid, 11-bromo-methylester | M2412 | AMY39895 | methyl 11-bromoundecylate | SCHEMBL1115015 | F20921 | HY-130641 | Methyl 11-bromoundecanoate,

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

11-bromoundecanoic acid methyl ester | SY052226 | FT-0636069 | 11-Bromo undecanoic acid methyl ester | Undecanoic acid, 11-bromo-methylester | M2412 | AMY39895 | methyl 11-bromoundecylate | SCHEMBL1115015 | F20921 | HY-130641 | Methyl 11-bromoundecanoate,

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 488188736
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188736
• Sonrisas canónicas: COC(=O)CCCCCCCCCCBr
• IUPAC Name: methyl 11-bromoundecanoate
• InChIKey: HFNPVFKUZYCDIB-UHFFFAOYSA-N
• INCHI: 1S/C12H23BrO2/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h2-11H2,1H3
• Isómeros SMILES: COC(=O)CCCCCCCCCCBr
• WGK Alemania: 3
• Peso molecular: 279.22
• Reaxy-Rn: 1771477
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1771477&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 methyl esters
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Methyl 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 methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• 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

• Sensibilidad: light sensitive
• Índice de refracción: 1.46
• Punto de inflamación (°F): >235.4 °F
• Punto de inflamación (°C): >113 °C
• Punto de ebullición (°C): 122 °C/0.5 mmHg
• Punto de fusión (°C): 13 °C
• Peso molecular: 279.210 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 278.088 Da
• Monoisotopic Mass: 278.088 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 149.000
• 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