Chloromethyl dodecanoate - ≥97% , CAS No.61413-67-0

CAS: 61413-67-0 Cat. No.: C697997 Fórmula: C₁₃H₂₅ClO₂ Peso molecular: 248.79 Número CE: 826-253-4

GRADE & PURITY ≥97%

Synonyms

Chloromethyl Laurate | Dodecanoic Acid Chloromethyl Ester | Dodecanoyloxymethyl Chloride

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Chloromethyl Laurate | Dodecanoic Acid Chloromethyl Ester | Dodecanoyloxymethyl Chloride

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C,Argon charged,Desiccated

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

CCCCCCCCCCCC(=O)OCCl

IUPAC Name

chloromethyl dodecanoate

InChIKey

XCHDYWCWXAASER-UHFFFAOYSA-N

INCHI

1S/C13H25ClO2/c1-2-3-4-5-6-7-8-9-10-11-13(15)16-12-14/h2-12H2,1H3

SMILES isoméricas

CCCCCCCCCCCC(=O)OCCl

CAS alternativo

61413-67-0

Peso molecular

248.79

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 Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• 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 - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - 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

• Sensibilidade: Light sensitive； Moisture sensitive.
• Peso molecular: 248.790 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 248.154 Da
• Monoisotopic Mass: 248.154 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