Ethyl Glutaryl Chloride - ≥97% , CAS No.5205-39-0

CAS: 5205-39-0 Cat. No.: E138942 Formula: C₇H₁₁ClO₃ Molecular Weight: 178.61 Beilstein Registry Number: 1099820 EC Number: 226-000-2

GRADE & PURITY ≥97%

Synonyms

D90519 | Glutaric acid monoethyl ester chloride, >=97.0% (NT) | NSC 249814 | FT-0625773 | 5-CHLORO-5-OXOPENTANOIC ACID, ETHYL ESTER | Ethyl glutaryl chloride | Pentanoic acid, 5-chloro-5-oxo-, ethyl ester | NSC249814 | NSC-249814 | STR10345 | AMY3999 | E0

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Glutaric acid monoethyl ester chloride (ethyl glutaryl chloride) is a higher acyl chloride homolog. Its reaction with calix arene to form ester group-containing calix arenes has been reported

Application：

Glutaric acid monoethyl ester chloride may be used as a reagent during the multi-step synthesis of lipidic aminoalcohol and diamine derivatives；

Specifications

Synonyms

D90519 | Glutaric acid monoethyl ester chloride, >=97.0% (NT) | NSC 249814 | FT-0625773 | 5-CHLORO-5-OXOPENTANOIC ACID, ETHYL ESTER | Ethyl glutaryl chloride | Pentanoic acid, 5-chloro-5-oxo-, ethyl ester | NSC249814 | NSC-249814 | STR10345 | AMY3999 | E0

Specifications & Purity

≥97%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

Pubchem Sid

488185639

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185639

Canonical Smiles

CCOC(=O)CCCC(=O)Cl

IUPAC Name

ethyl 5-chloro-5-oxopentanoate

InChIKey

KKJAQUGGQMCNJY-UHFFFAOYSA-N

INCHI

1S/C7H11ClO3/c1-2-11-7(10)5-3-4-6(8)9/h2-5H2,1H3

Isomeric SMILES

CCOC(=O)CCCC(=O)Cl

WGK Germany

3

Molecular Weight

178.61

Beilstein

1099820

Reaxy-Rn

1099817

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099817&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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 Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Moisture Sensitive
• x_refractive_index: 1.44
• x_flash_point_drop_fahrenheit: 82°C(lit.)
• x_flash_point_drop_centigrade: 82°C(lit.)
• x_boil_point_char: 108 °C/9.8 mmHg
• Molecular Weight: 178.610 g/mol
• XLogP3: 1.300
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5205-39-0, the molecular formula is C7H11ClO3, and the molecular weight is 178.61 g/mol. InChIKey KKJAQUGGQMCNJY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.