Accession Number : ADA298647

Title :   QSAR Evaluation of Halon 1301 (CF3Br) and CF3I.

Descriptive Note : Interim rept. Sep-Nov 93,

Corporate Author : MANTECH ENVIRONMENTAL TECHNOLOGY INC DAYTON OH

Personal Author(s) : Brashear, W. T. ; Reid, D. A.

PDF Url : ADA298647

Report Date : JAN 1994

Pagination or Media Count : 23

Abstract : The chemical compound CF3I is a replacement candidate for the in-flight fire extinguishing Halon 1301 (CF3Br). One concern in choosing a suitable replacement for CF3Br is the toxicity of the replacement candidate. Since toxicological data comparing CF3Br and CF3I are not available, this comparison was done using a computer model for toxic endpoints. Quantitative Structure Activity Relationship (QSAR) was performed to compare the toxicity of CF3Br and CF3I. These two chemicals were evaluated for rodent carcinogenicity and mouse inhalation LC50. The comparisons were made using the TOPKAT computer program (Health Designs Inc., Rochester, NY). TOPKAT is a QSAR database program that can predict a variety of toxicological endpoints. The predictive capability of the TOPKAT program can be used to statistically estimate the toxicity of chemical compounds. The results of the QSAR evaluation of CF3Br and CF3I show that the toxicity of these compounds is not significantly different for either rodent carcinogenicity or mouse inhalation LC50. jg p.3

Descriptors :   *HALOGENATED HYDROCARBONS, *FIRE EXTINGUISHERS, *BROMINE COMPOUNDS, *IODINE COMPOUNDS, COMPUTER PROGRAMS, DATA BASES, COMPUTERIZED SIMULATION, PREDICTIONS, TOXICITY, REPLACEMENT, CARCINOGENS, RODENTS, CHEMICAL COMPOUNDS, TOXICOLOGY, FIRE SAFETY.

Subject Categories : Organic Chemistry
      Toxicology
      Safety Engineering

Distribution Statement : APPROVED FOR PUBLIC RELEASE