Cloruro de metil adipoilo - ≥97% , CAS No.35444-44-1

CAS: 35444-44-1 Cat. No.: M169854 Peso molecular: 178.61 Número EC: 252-569-1

GRADE & PURITY ≥97%

Synonyms

ácido 6-cloro-6-oxohexanoico, éster metílico | MS-20022 | Cloruro de metiladipoilo | 5-[cloroformil]pentanoato de metilo | Ácido hexanoico, 6-cloro-6-oxo-, éster metílico | SCHEMBL642929 | Cloruro de metiladipoilo | Cloruro de 5-(metoxicarbonil)pentoilo |

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

ácido 6-cloro-6-oxohexanoico, éster metílico | MS-20022 | Cloruro de metiladipoilo | 5-[cloroformil]pentanoato de metilo | Ácido hexanoico, 6-cloro-6-oxo-, éster metílico | SCHEMBL642929 | Cloruro de metiladipoilo | Cloruro de 5-(metoxicarbonil)pentoilo |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504759069
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759069
• Sonrisas canónicas: COC(=O)CCCCC(=O)Cl
• IUPAC Name: methyl 6-chloro-6-oxohexanoate
• InChIKey: HDLGIEZOMYJKAK-UHFFFAOYSA-N
• INCHI: 1S/C7H11ClO3/c1-11-7(10)5-3-2-4-6(8)9/h2-5H2,1H3
• Isómeros SMILES: COC(=O)CCCCC(=O)Cl
• WGK Alemania: 3
• Peso molecular: 178.61
• Reaxy-Rn: 1766187
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1766187&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 Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - 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

• Índice de refracción: n20/D 1.4470
• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Punto de ebullición (°C): 76 °C/0.8 mmHg
• Peso molecular: 178.610 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 178.04 Da
• Monoisotopic Mass: 178.04 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 145.000
• 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