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

CAS: 14794-32-2 Cat. No.: E156426 Formule: C₉H₁₅ClO₃ Poids moléculaire: 206.67 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504759185

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759185

Sourires canoniques

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

Isomères SMILES

CCOC(=O)CCCCCC(=O)Cl

Poids moléculaire

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
    • 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 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

Propriétés chimiques et physiques

• Sensibilité: Moisture Sensitive
• Indice de réfraction: 1.44
• Point d'éclair (°C): 93 °C
• Point d'ébullition (°C): 141°C/17.5mmHg(lit.)
• Poids moléculaire: 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

Foire aux 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 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.

How is this product shipped?

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

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

The CAS Number is 14794-32-2, the molecular formula is C9H15ClO3, and the molecular weight is 206.67 g/mol. InChIKey NYZNYLOIPHDFKS-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.