2,5-DICHLORO-2,5-DIMETHYLHEXANE Chemical Properties

Melting point:

63-64°C

Boiling point:

221.51°C (estimate)

Density 

1.0333 (estimate)

refractive index 

1.4345 (estimate)

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

solubility 

Chloroform (Sparingly), Dichloromethane, Diethyl Ether; Ethyl Acetate, Methanol

form 

Solid

color 

White to Pale Beige

InChI

InChI=1S/C8H16Cl2/c1-7(2,9)5-6-8(3,4)10/h5-6H2,1-4H3

InChIKey

HSTAGCWQAIXJQM-UHFFFAOYSA-N

SMILES

CC(Cl)(C)CCC(Cl)(C)C

EPA Substance Registry System

Hexane, 2,5-dichloro-2,5-dimethyl- (6223-78-5)

Safety Information

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39

HS Code 

2903190090

2,5-DICHLORO-2,5-DIMETHYLHEXANE Usage And Synthesis

Chemical Properties

White Solid

Uses

2,5-Dichloro-2,5-dimethylhexane is a useful reagent for the preparation of substituted bis-2-indenyl metallocene compounds as catalysts for olefin polymerization.

Synthesis

2,5-Dimethyl-2,5-hexanediol was used as a raw material to synthesize 2,5-dichloro-2,5-dimethylhexane (Compound 2) by the method reported by Bruson H et al (J Am Chem Soc, 62:36, 1940). The procedure was as follows: 50 g of 2,5-dimethylhexane-2,5-diol (compound 1) was reacted with 1 L of concentrated hydrochloric acid. Upon completion of the reaction, the product was quantitatively measured to determine the yield. The physical and chemical properties of the resulting compound 2 were consistent with the data reported in the literature by Bruson et al.

References

[1] Patent: WO2007/5568, 2007, A1. Location in patent: Page/Page column 10
[2] Organometallics, 2012, vol. 31, # 21, p. 7579 - 7585
[3] Chinese Journal of Chemistry, 2010, vol. 28, # 10, p. 1951 - 1956
[4] Organic and Biomolecular Chemistry, 2018, vol. 16, # 35, p. 6586 - 6599
[5] Patent: EP1157047, 2003, B1

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