2,2-Dichlorooctanal , CAS No.50735-74-5

CAS: 50735-74-5 Cat. No.: D1011709 分子式: C₈H₁₄Cl₂O 分子量: 197.100

Storage

Room temperature

Specifications

保管条件

Room temperature

名前と識別子

• カノニカル・スマイル: CCCCCCC(C=O)(Cl)Cl
• IUPAC Name: 2,2-dichlorooctanal
• InChIKey: TUVHNFBPILFQME-UHFFFAOYSA-N
• INCHI: 1S/C8H14Cl2O/c1-2-3-4-5-6-8(9,10)7-11/h7H,2-6H2,1H3
• 分子量: 197.100

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 分類 Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Organic oxides Hydrocarbon derivatives Alkyl chlorides Aldehydes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Alkyl halide - Alkyl chloride - Aldehyde - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
• 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

化学的性質と物理的性質

• 分子量: 197.100 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 196.042 Da
• Monoisotopic Mass: 196.042 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 113.000
• 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

よくある質問

How should this product be stored?

Store at room temperature.

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

The CAS Number is 50735-74-5, the molecular formula is C8H14Cl2O, and the molecular weight is 197.100 g/mol. InChIKey TUVHNFBPILFQME-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.