2,2-Dichlorohexanal - ≥95% , CAS No.57024-78-9

CAS: 57024-78-9 Cat. No.: B301312 Fórmula: C₆H₁₀Cl₂O Peso molecular: 169.05

GRADE & PURITY ≥95%

Synonyms

2,2-dichlorohexanal|57024-78-9|SCHEMBL7728712|2,2-Dichlorohexanal, AldrichCPR|DTXSID70369176|FT-0609215

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2,2-dichlorohexanal | 57024-78-9 | SCHEMBL7728712 | 2,2-Dichlorohexanal, AldrichCPR | DTXSID70369176 | FT-0609215

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CCCCC(C=O)(Cl)Cl
• IUPAC Name: 2,2-dichlorohexanal
• InChIKey: RGTYYGDMHXSGLS-UHFFFAOYSA-N
• INCHI: 1S/C6H10Cl2O/c1-2-3-4-6(7,8)5-9/h5H,2-4H2,1H3
• Isómeros SMILES: CCCCC(C=O)(Cl)Cl
• Peso molecular: 169.05
• Reaxy-Rn: 1853197
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1853197&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Peso molecular: 169.050 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• 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: 91.100
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 57024-78-9, the molecular formula is C6H10Cl2O, and the molecular weight is 169.05 g/mol. InChIKey RGTYYGDMHXSGLS-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.