Octane, 1,8-dichloro-


Chemical Name: Octane, 1,8-dichloro-
CAS Number: 2162-99-4
Product Number: AG003DS0(AGN-PC-0JLP50)
Synonyms:
MDL No:
Molecular Formula: C8H16Cl2
Molecular Weight: 183.11864

Identification/Properties


Properties
MP:
-8 °C
BP:
241°C at 760 mmHg
Storage:
Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.459(lit.)
Solubility:
0.17g/l
Computed Properties
Molecular Weight:
183.116g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
7
Exact Mass:
182.063g/mol
Monoisotopic Mass:
182.063g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
47.2
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3077
Hazard Statements:
H315-H319-H411
Precautionary Statements:
P264-P273-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P391-P501
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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Chemical Structure



1,8-Dichlorooctane is a versatile compound that finds broad application in chemical synthesis, particularly in organic chemistry reactions. Its distinctive chemical structure, consisting of two chlorine atoms attached to an octane chain, imparts unique reactivity and properties that make it valuable in various synthetic methodologies.In chemical synthesis, 1,8-Dichlorooctane serves as a key intermediate in the production of diverse compounds such as pharmaceuticals, agrochemicals, and specialty chemicals. Its alkyl chain provides a scaffold for further functionalization through substitution or elimination reactions, allowing for the introduction of various functional groups. Additionally, the presence of chlorine atoms on the carbon chain can participate in nucleophilic substitution reactions, enabling the synthesis of complex organic molecules.Moreover, 1,8-Dichlorooctane can act as a building block in the synthesis of surfactants, polymers, and other materials where the alkyl chain length and the presence of halogen substituents are important for desired properties. Its usage extends to the preparation of insecticides, perfumes, and other fine chemicals where specific structural motifs are required for desired biological or physicochemical activities.Overall, the strategic incorporation of 1,8-Dichlorooctane in chemical synthesis facilitates the diversification and modification of molecular structures, thereby enabling the creation of novel compounds with tailored properties and applications.