6-Chlorohexanoyl chloride - ≥96% , CAS No.19347-73-0

CAS: 19347-73-0 Cat. No.: C468097 Summenformel: Cl(CH₂)₅COCl Molekulargewicht: 169.05 EG-Nummer: 242-979-9

GRADE & PURITY ≥96%

Synonyms

6-Chlorohexanoyl chloride, 96% | EINECS 242-979-9 | SCHEMBL203285 | MFCD00041436 | AKOS006221914 | Hexanoyl chloride, 6-chloro- | J-012527 | 6-CHLOROHEXANOYLCHLORIDE | FT-0621069 | 6-chlorocaproyl chloride | 6-chloro-caproyl chloride | 6-Chlorohexanoyl ch

Storage

Room temperature

Übersicht

Description

6-Chlorohexanoyl chloride may be used in the following processes:Preparation oftert-butyl-N-(2-(6-chlorovaleryl)phenyl)carbamate, an intermediate for synthesizing the ketone analog of 2-amino-N-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)-butyl)benzamide hydrochloride.Preparation of (S)-(-)6-chlorohexanoic acid (2-methoxymethylpyrrolidin-1-yl)amide, a precursor for synthesizing 2-alkyl-substituted lactones.Deprotection and acylation of the pendant nitrogen during the preparation of a new cryptand with hydroxamate moiety that can bind with tribasic cations.

Specifications

Synonyme

6-Chlorohexanoyl chloride, 96% | EINECS 242-979-9 | SCHEMBL203285 | MFCD00041436 | AKOS006221914 | Hexanoyl chloride, 6-chloro- | J-012527 | 6-CHLOROHEXANOYLCHLORIDE | FT-0621069 | 6-chlorocaproyl chloride | 6-chloro-caproyl chloride | 6-Chlorohexanoyl ch

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 504755916
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755916
• Kanonisches Lächeln: C(CCC(=O)Cl)CCCl
• IUPAC Name: 6-chlorohexanoyl chloride
• InChIKey: WZILXAPNPKMOSA-UHFFFAOYSA-N
• INCHI: 1S/C6H10Cl2O/c7-5-3-1-2-4-6(8)9/h1-5H2
• Isomere SMILES: C(CCC(=O)Cl)CCCl
• WGK Deutschland: 3
• Molekulargewicht: 169.05
• Reaxy-Rn: 1852393
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1852393&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Acyl halides
• Subclass: Acyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl chlorides
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: moisture sensitive
• Brechungsindex: 1.464
• Flammpunkt (°F): 230 °F
• Flammpunkt (°C): 110 °C
• Siedepunkt (°C): 90℃/7mm
• Molekulargewicht: 169.050 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 168.011 Da
• Monoisotopic Mass: 168.011 Da
• Topological Polar Surface Area: 17.100 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 19347-73-0, the molecular formula is Cl(CH2)5COCl, and the molecular weight is 169.05 g/mol. InChIKey WZILXAPNPKMOSA-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.