Ethyl 4-Chlorobutyrate - ≥97% , CAS No.3153-36-4

CAS: 3153-36-4 Cat. No.: E493598 Fórmula: C₆H₁₁ClO₂ Peso molecular: 150.6 Beilstein Registry Number: 2278 Número CE: 221-591-3

GRADE & PURITY ≥97%

Synonyms

Ethyl 4-chlorobutyrate|3153-36-4|ETHYL 4-CHLOROBUTANOATE|Butanoic acid, 4-chloro-, ethyl ester|Ethyl gamma-chlorobutyrate|Butyric acid, 4-chloro-, ethyl ester|4-chloro-butyric acid ethyl ester|NSC 81215|6TM3R4X5CX|Ethyl .gamma.-chlorobutyrate|4-Chlorobuty

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

Ethyl 4-chlorobutyrate | 3153-36-4 | ETHYL 4-CHLOROBUTANOATE | Butanoic acid, 4-chloro-, ethyl ester | Ethyl gamma-chlorobutyrate | Butyric acid, 4-chloro-, ethyl ester | 4-chloro-butyric acid ethyl ester | NSC 81215 | 6TM3R4X5CX | Ethyl .gamma.-chlorobutyrate | 4-Chlorobuty

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 528760459
• Sorrisos canónicos: CCOC(=O)CCCCl
• IUPAC Name: ethyl 4-chlorobutanoate
• InChIKey: OPXNFHAILOHHFO-UHFFFAOYSA-N
• INCHI: 1S/C6H11ClO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
• SMILES isoméricas: CCOC(=O)CCCCl
• WGK Alemanha: 3
• Peso molecular: 150.6
• Beilstein: 2278
• Reaxy-Rn: 1098810
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098810&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 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

• Solubilidade: Insoluble in water.
• Índice de refração: 1.432
• Ponto de inflamação (°F): 169°F
• Ponto de inflamação (°C): 76℃
• Ponto de ebulição (°C): 185-186℃
• Peso molecular: 150.600 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 150.045 Da
• Monoisotopic Mass: 150.045 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 83.100
• 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