CAS 594-84-3

2,2-Dichloro-3,3-dimethylbutane

Description:

2,2-Dichloro-3,3-dimethylbutane is an organic compound characterized by its structure, which features two chlorine atoms attached to the second carbon and two methyl groups attached to the third carbon of a butane backbone. This compound is a colorless liquid at room temperature and is known for its relatively low volatility. It is insoluble in water but soluble in organic solvents, which is typical for chlorinated hydrocarbons. The presence of chlorine atoms contributes to its reactivity, making it a potential intermediate in organic synthesis and a subject of study in environmental chemistry due to its potential for persistence and bioaccumulation. Additionally, 2,2-Dichloro-3,3-dimethylbutane can exhibit toxicological effects, necessitating careful handling and consideration of safety protocols during its use in laboratory or industrial settings. Its chemical properties, including boiling point and density, are influenced by the chlorinated and branched structure, which can affect its behavior in various chemical reactions and applications.

Formula: C₆H₁₂Cl₂

InChI: InChI=1S/C6H12Cl2/c1-5(2,3)6(4,7)8/h1-4H3

InChI key: InChIKey=QMQRQQASVUFJGS-UHFFFAOYSA-N

SMILES: C(C(C)(Cl)Cl)(C)(C)C

Synonyms:

• 1,1-Dichloro-1-tert-butylethane
• Butane, 2,2-dichloro-3,3-dimethyl-
• NSC 48894
• 2,2-Dichloro-3,3-dimethylbutane

2,2-Dichloro-3,3-dimethylbutane

Controlled Product

CAS: 594-84-3

Applications 2,2-Dichloro-3,3-dimethylbutane is an intermediate used in the synthesis of terbinafine (T107500, HCl salt).
References Han, Y., et al.: Zhongguo Yaoke Daxue Xuebao, 32, 8 (2001)

Formula: C₆H₁₂Cl₂

Color and Shape: Neat

Molecular weight: 155.065

Ref: TR-D434055