1-Chlorodocosane - ≥98% , CAS No.42217-03-8

CAS: 42217-03-8 Cat. No.: C153587 Summenformel: C₂₂H₄₅Cl Molekulargewicht: 345.05

GRADE & PURITY ≥98%

Synonyms

A902851 | SCHEMBL4063990 | EINECS 255-710-5 | D89293 | MFCD00039383 | AKOS024390929 | FT-0639772 | 1-Chlorodocosane | 1-chloro-docosane | Docosane, 1-chloro- | n-Docosyl Chloride | Docosyl Chloride | Behenyl chloride | DTXSID20195043

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

A902851 | SCHEMBL4063990 | EINECS 255-710-5 | D89293 | MFCD00039383 | AKOS024390929 | FT-0639772 | 1-Chlorodocosane | 1-chloro-docosane | Docosane, 1-chloro- | n-Docosyl Chloride | Docosyl Chloride | Behenyl chloride | DTXSID20195043

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488190224

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190224

Kanonisches Lächeln

CCCCCCCCCCCCCCCCCCCCCCCl

IUPAC Name

1-chlorodocosane

InChIKey

OACXFSZVCDOBKF-UHFFFAOYSA-N

INCHI

1S/C22H45Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-22H2,1H3

Isomere SMILES

CCCCCCCCCCCCCCCCCCCCCCCl

Molekulargewicht

345.05

Reaxy-Rn

1862172

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1862172&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Benzene
• Schmelzpunkt (°C): 41 °C
• Molekulargewicht: 345.000 g/mol
• XLogP3: 12.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 20
• Exact Mass: 344.321 Da
• Monoisotopic Mass: 344.321 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 190.000
• 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