2126. p-Chlorobenzotrifluoride

Nomenclature

CAS number: 98-56-6
1-Chloro-4-(trifluoromethyl)benzene; (4-chlorophenyl)trifluoromethane; 4-chloro-α,α,α-trifluorotoluene; PCBTF; Oxsol 100 (Occidental Chemical).
C7H4ClF3; mol wt 180.55.
C 46.57%, H 2.23%, Cl 19.64%, F 31.57%.

Description and references

Environmentally friendly solvent. Prepn: H. S. Booth et al., J. Am. Chem. Soc. 57, 2066 (1935) DOI. Mass spectrum: F. Belsito et al., Ann. Chim. 69, 259 (1979). Photochemical reactivity: M. Khan et al., Atmos. Environ. 33, 1085 (1999) DOI. Use as chemical intermediate: E. R. Lavagnino et al., Org. Prep. Proced. Int. 11, 23 (1979); M. Beller, A. Zapf, Synlett 1998, 792 DOI. GLC/MS determn in fish: M. P. Yurawecz, J. Assoc. Off. Anal. Chem. 62, 36 (1979) PubMed. Toxicology: P. E. Newton et al., Inhalation Toxicol. 10, 33 (1998) DOI. Review: C. H. Hare, Mod. Paint Coat. 88, 30-36 (1998).

Chemical structure

Properties

Liquid, strong though not unpleasant aromatic odor. Flammable. bp 139°. Freezing pt: -36°. mp -34°. Flash point (closed cup): 109°F (43°C). d20 1.34. d425 1.334. nD21 1.4469. Vapor pressure (20°): 5.3 mm Hg. Soly in water (25°): 29 ppm.

Use

Chemical intermediate for dinitroaniline herbicides, dyes. As dielectric fluid and as solvent.