CAS 71173-65-4

1-Chloro-4,5-dimethylhexane

Description:

1-Chloro-4,5-dimethylhexane is an organic compound characterized by its structure, which includes a hexane backbone with two methyl groups at the 4 and 5 positions and a chlorine atom at the first carbon. This compound is classified as a haloalkane, specifically an alkyl halide, due to the presence of the chlorine atom. It is typically a colorless liquid at room temperature and is known for its moderate volatility and solubility in organic solvents. The presence of the chlorine atom imparts certain reactivity, making it susceptible to nucleophilic substitution reactions. Additionally, the branched structure of the molecule can influence its physical properties, such as boiling and melting points, compared to its straight-chain counterparts. 1-Chloro-4,5-dimethylhexane may be used in various chemical syntheses and applications, including as an intermediate in the production of other organic compounds. Safety precautions should be observed when handling this substance, as it may pose health risks if inhaled or ingested.

Formula: C₈H₁₇Cl

InChI: InChI=1S/C8H17Cl/c1-7(2)8(3)5-4-6-9/h7-8H,4-6H2,1-3H3

InChI key: InChIKey=COHAAIBGIOMLNO-UHFFFAOYSA-N

SMILES: C(C(C)C)(CCCCl)C

Synonyms:

• 1-Chloro-4,5-dimethylhexane
• Hexane, 1-chloro-4,5-dimethyl-