- Author
-
Brashear, W. T.
- Title
- QSAR Evaluation of Halon 1301 (CF₃Br) and CF₃I. Interim Report. September-November 1993.
- Coporate
- Health Design Inc., Rochester, NY
- Sponsor
- Armstrong Laboratory, Wright-Patterson AFB, OH
- Report
-
Interim Report
January 1994
21 p.
- Distribution
- Available from National Technical Information Service
- Contract
- F33615-90-C-0532
- Keywords
-
halon 1301
|
evaluation
|
fire extinguishing agents
|
halon alternatives
|
toxicity
|
computer models
|
animals
|
inhalation
- Identifiers
- Quantitative Structure Activity Relationship (QSAR)
- 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 CR₃Br 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 chemical 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.