Ethyl 6-(Chloroformyl)hexanoate - ≥97% , CAS No.14794-32-2

CAS: 14794-32-2 Cat. No.: E156426 Molecular Weight: 206.67 EC Number: 679-653-4

GRADE & PURITY ≥97%

Synonyms

AKOS015914080 | 6-(Chloroformyl)hexanoic Acid Ethyl Ester | BS-43885 | ethyl 6-chloroformylhexanoate | Ethyl 7-chloro-7-oxoheptanoate # | Ethyl 6-(Chloroformyl)hexanoate | ethyl 6-(chloroformyl)-hexanoate | Heptanoic acid, 7-chloro-7-oxo, ethyl ester | He

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AKOS015914080 | 6-(Chloroformyl)hexanoic Acid Ethyl Ester | BS-43885 | ethyl 6-chloroformylhexanoate | Ethyl 7-chloro-7-oxoheptanoate # | Ethyl 6-(Chloroformyl)hexanoate | ethyl 6-(chloroformyl)-hexanoate | Heptanoic acid, 7-chloro-7-oxo, ethyl ester | He

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: 504759185
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759185
• Canonical Smiles: CCOC(=O)CCCCCC(=O)Cl
• IUPAC Name: ethyl 7-chloro-7-oxoheptanoate
• InChIKey: NYZNYLOIPHDFKS-UHFFFAOYSA-N
• INCHI: 1S/C9H15ClO3/c1-2-13-9(12)7-5-3-4-6-8(10)11/h2-7H2,1H3
• Isomeric SMILES: CCOC(=O)CCCCCC(=O)Cl
• Molecular Weight: 206.67
• Reaxy-Rn: 1101095
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1101095&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

• Sensitivity: Moisture Sensitive
• Refractive Index: 1.44
• Flash Point(°C): 93 °C
• Boil Point(°C): 141°C/17.5mmHg(lit.)
• Molecular Weight: 206.660 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 206.071 Da
• Monoisotopic Mass: 206.071 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 168.000
• 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