Chlorinated paraffin - Chlorine content: 42% , CAS No.63449-39-8

CAS: 63449-39-8 Cat. No.: C301618 EC Number: 264-150-0 PubChem CID: 6537497

GRADE & PURITY Chlorine content: 42%

Synonyms

63449-39-8|Cereclor|Chlorcosane|Arubren|Chlorowax|Flexchlor|Unichlor|Paroil chlorez|Arubren CP|Cerechlor 54|Chloroflo 35|Chloroflo 40|Chloroflo 42|Cereclor 30|Cereclor 42|Cereclor 48|Cereclor 52|Cereclor 54|Cereclor 70|Unichlor 50|Cereclor 50LV|Cereclor 5

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

63449-39-8 | Cereclor | Chlorcosane | Arubren | Chlorowax | Flexchlor | Unichlor | Paroil chlorez | Arubren CP | Cerechlor 54 | Chloroflo 35 | Chloroflo 40 | Chloroflo 42 | Cereclor 30 | Cereclor 42 | Cereclor 48 | Cereclor 52 | Cereclor 54 | Cereclor 70 | Unichlor 50 | Cereclor 50LV | Cereclor 5

Specifications & Purity

Chlorine content: 42%

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CCCC(CCCC(CCC(CCC(CCC(CCCC(CCC)Cl)Cl)Cl)Cl)Cl)Cl
• IUPAC Name: 4,8,11,14,17,21-hexachlorotetracosane
• InChIKey: QKUNKVYPGIOQNP-UHFFFAOYSA-N
• INCHI: 1S/C24H44Cl6/c1-3-7-19(25)9-5-11-21(27)13-15-23(29)17-18-24(30)16-14-22(28)12-6-10-20(26)8-4-2/h19-24H,3-18H2,1-2H3
• Isomeric SMILES: CCCC(CCCC(CCC(CCC(CCC(CCCC(CCC)Cl)Cl)Cl)Cl)Cl)Cl
• Alternate CAS: 85422-92-0
• PubChem CID: 6537497

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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
• Description: 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

Associated Targets(Human)

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 545.300 g/mol
• XLogP3: 11.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 21
• Exact Mass: 544.154 Da
• Monoisotopic Mass: 542.157 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 334.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 6
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Xiaojing Li, Yichen Bai, Yanju Bi, Qian Wu, Shiwen Xu.  (2023)  Baicalin suppressed necroptosis and inflammation against chlorpyrifos toxicity; involving in ER stress and oxidative stress in carp gills.  FISH & SHELLFISH IMMUNOLOGY,      [PMID:37285874] [10.1016/j.fsi.2023.108883]