Structural Formula Vector Image
Title: Hexachlorobutadiene
CAS Registry Number: 87-68-3
CAS Name: 1,1,2,3,4,4-Hexachloro-1,3-butadiene
Additional Names: perchlorobutadiene
Molecular Formula: C4Cl6
Molecular Weight: 260.76
Percent Composition: C 18.42%, Cl 81.58%
Line Formula: Cl2C=CCl-CCl=CCl2
Literature References: Prepn: F. Krafft, Ber. 10, 801 (1877); E. T. McBee, R. E. Hatton, Ind. Eng. Chem. 41, 809 (1949); J. Jelinek, M. Hudlicky, Collect. Czech. Chem. Commun. 22, 651 (1957). GC determn in blood: P. E. Kastl, E. A. Hermann, J. Chromatogr. 280, 390 (1983). Toxicity study: D. Gradiski et al., Eur. J. Toxicol. Environ. Hyg. 8, 180 (1975). Review of toxicology and human exposure: Toxicological Profile for Hexachlorobutadiene (PB95-100160, 1994) 135 pp. Review: G. Choudhary, Environ. Carcinog. Ecotoxicol. Rev. C13, 179-203 (1995).
Properties: Colorless liquid with faint turpentine-like odor. mp -21°; bp760 215°. d204 1.6820; nD20 1.5542. Viscosity (cP): 2.446 at 37.8°; 1.131 at 98.9°. Soly in water (20°): 0.0005%. Sol in ethanol, ether. LD50 in male, female mice, rats (mg/kg): 105, 76, 216, 175 i.p.; 80, 65, 250, 270 orally (Gradiski).
Melting point: mp -21°
Boiling point: bp760 215°
Index of refraction: nD20 1.5542
Density: d204 1.6820
Toxicity data: LD50 in male, female mice, rats (mg/kg): 105, 76, 216, 175 i.p.; 80, 65, 250, 270 orally (Gradiski)
CAUTION: Potential symptoms of overexposure in exptl animals are irritation of eyes, skin, respiratory system; kidney damage. Potential occupational carcinogen. See: NIOSH Pocket Guide to Chemical Hazards (DHHS/NIOSH 97-140, 1997) p. 158; Patty's Industrial Hygiene and Toxicology vol. 2E, G. D. Clayton, F. E. Clayton, Eds. (John Wiley & Sons, New York, 4th ed., 1994) p 4240-4247.
Use: Intermediate in the manuf of rubber compds, chlorofluorocarbons, and lubricants. Hydraulic fluid, fluid for gyroscopes, heat transfer fluid, solvent, laboratory reagent. Soil fumigant for vineyards.

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