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Data bank of environmental chemicals     |     The Finnish Environment Institute (SYKE)
 


5.12.2025

Data bank of environmental properties of chemicals


Chemical
Benzotrichloride
CAS-number :
98-07-7
 
Synonyms :
Bentsotrikloridi
Benzenyltrichloride
Benzoic trichloride
Benzyltrichloride
Phenylchloroform
Toluenetrichloride
Trichloromethyl benzene.
 
Sumformula of the chemical :
C7H5Cl3
EINECS-number :
2026345
 
State and appearance :
Colourless to yellowish liquid.
 
Odor :
Penetrating odour.
 
Molecular weight :
195.48
 
Spesicif gravity (water=1) :
1.38 
 
Vapor pressure, mmHg :
0.23  at 20°C, Weber et al. 1981
 
Melting point, °C :
-5 
 
Boiling point, °C :
213  213 - 214 °C
214 
  --
220.8  at 760 mm Hg
 
Log octanol/water coefficient, log Pow :
2.92  Hansch & Leo 1985
 
Volatilization :
Due to the rabid hydrolysis of benzotrichloride in water,
volatilization from water is not expected to be important
(Howard 1989).

Benzotrichloride is a liquid which fumes in air and has a
relatively high vapor pressure; therefore eporation from dry
surfaces may be expected to occur (Merck Index 1983).
 
Mobility :
Due to the rapid hydrolysis of benzotrichloride in water,
leaching in moist soils should not be significant, due to its
degradation to benzoic and hydrochloric acid (Howard 1989).
 
Other physicochemical properties :
Hydrolyzes rapidly in water (Mabey & Mill 1978).
 
Photochemical degradation in air :
The ultraviolet adsorption spectrum for benzotrichloride in
methanol solution shows virtually no adsorption above 290 nm,
therefore direct photolysis in the environment is not expected
to occur (Sadtler 1966).

The vapor-phase reaction of benzotrichloride with
photochemically produced hydroxyl radicals in the atmosphere at
25 °C has an estimated half-life of 2 days at a hydroxyl
radical concentration of 8x10+5 mol/m3 (GEMS 1986).

Photooxidation half-life in air:
72.4d - 7.24d, scientific judgement based upon an estimated
rate constant for vapor phase reaction with hydroxyl radicals
in air (Howard 1991).
 
Hydrolysis in water :
Benzotrichloride hydrolyzez in the presence of moisture,
forming benzoic acid and hydrochloric acid (Merck Index 1983).

The hydrolysis rate constant at 25 °C and pH 7 is reported to be
0.063 sec-1 which corresponds to a half-life of 11 sec.

(Mabey & Mill 1978).

The hydrolysis rate constant at 5.10 °C was found to be 0.00387
sec-1, which corresponds to a half-life of 3.0 minutes.

(Laughton & Robertson 1959).

First-order hydrolysis half-life:
11s, based upon overall rate constant (kh=6.3X10-2) at pH 7 and
25 degrees Celcius.
3min, based upon overall rate constant (kh=3.87X10-3) at pH 7
and
5 degrees Celcius.

Howard 1991
 
Half-life in air, days :
72.4  72.4d - 7.24d,
7.24  scientific judgement based upon estimated photooxidation halflife in air.
  Howard 1991
 
Half-life in soil, days :
0.002  3min - 11s,
0.0001  low t1/2 based upon measured overall hydrolysis rate constant for pH 7 at 25 degrees Celcius. High t1/2 based upon measured overall hydrolysis rate constant for pH 7 at 5 degrees Celsius.
  Howard 1991
 
Half-life in water, days :
0.002  3min - 11s,
0.0001  in surface water: low t1/2 based upon measured overall hydrolysis rate constant for pH 7 at 25 degrees Celcius. High t1/2 based upon measured overall hydrolysis rate constant for pH 7 at 5 degrees Celcius,
0.002  3min - 11s,
0.0001  in ground water: low t1/2 based upon measured overall hydrolysis rate constant for pH 7 at 25 degrees Celcius. High t1/2 based upon measured overall hydrolysis rate constant for pH 7 at 5 degrees Celcius.
  Howard 1991
 
Aerobic degradation in water :
Aerobic half-life:
7d - 1d, scientific judgement based upon limited aqueous 
screening test data (Howard 1991).
 
Anaerobic degradation in water :
Anaerobic half-life:
4w - 4d, scientific judgement based upon estimated unacclimated 
aqueous aerobic biodegradation half-life (Howard 1991).
 
Total degradation in water :
Degradation observed in the Modified OECD Screening Test (95%
elimination of DOC in 3 days, 100% mineralization of
organochlorine in 1 day) is most likely degradation of
benzotrichloride's hydrolysis product, benzoic acid, since
benzotrichloride has estimated half-life of 11 sec in water at
25 °C and pH 7 (Steinhaeuser et al. 1986).
 
Ready biodegradability :
Confirmed to be biodegradable (Anon. 1987).
 
Other information of bioaccumulation :
Based on the log Kow, the BCF for benzotrichloride can be
estimated to be 98. 
Due to the rapid hydrolysis of
benzotrichloride in water, bioconcentration in aquatic
organisms is not expected to occur (Lyman et al. 1982).
 
LD50 values to birds in oral exposure, mg/kg :
100  >100, orl-Agelaius phoeniceus
  Schafer et al. 1983
 
Effects on microorganisms :
Toxicity threshold (cell multiplication inhibition test):
Bacteria (Pseudomonas putida): > 100 mg/l
(Bringmann & Kühn 1980).
 
Other information of water organisms :
Toxicity threshold (cell multiplication inhibition test):
Green algae (Scenedesmus quadricauda): > 100 mg/l
Protozoa (Entosiphon sulcatum): 56 mg/l
Protozoa (Uronema parduczi: > 80 mg/l
(Bringmann & Kühn 1980).

References
1848Anon. 1987a. The list of the existing chemical substances tested on biodegradability by microorganisms or bioaccumulation in fish body by Chemicals Inspection & Testing Institute. Ministry of International Trade and Industry, MITI. Japan.
188Bringmann, G. & Kühn, R. 1980a. Comparison of the toxicity thresholds of water pollutants to bacteria, algae and protozoa in the cell multiplication inhibition test. Water Res. 14: 231 - 241.
189Bringmann, G. & Kühn, R. 1980b. Bestimmung der biologischen Schadwirkung wassergefahrdender Stoffe gegen Protozoen. II. Bakterienfressende Ciliaten, Z. Wasser/Abwasser Forsch. 1: 26 - 31.
3133GEMS; 1986 -. Graphical Exposure Modeling System. FAP. Fate of Atmos Pollut.
2958Hansch, C and Leo, A. J. 1985. Medchem Project Issue No 26. Claremont C.A. Pomona College.
3047Howard, P. H. 1989. Handbook of Environmental Fate and Exposure Data for Organic Chemicals. Vol. I: Large Production and Priority Pollutants. Lewis Publishers, Inc. Chelsea. pp 574.
3120Howard, P.H., Boethling, R.S., Jarvis, W.F., Meylan, W.M. & Michalenko, E.M., Handbook of Environmental Degradation Rates, 1991. Lewis Publicers, Inc., Chelsea, Michigan, U.S.A., pp. 725.
3208Laughton, P. M. & Robertson, R. E. 1959. Can. J. Chem. 37: 1491.
2960Lyman, W. J. et al. 1982. Handbook of Chemical Property Estimation Methods. Environmental behavior of organic compounds. McGraw-Hill New York.
3069Mabey, W & Mill, T. 1978. J. Phys. Chem. Ref. Data 7: 383 - 415.
3006Merck Index. 1983. An Encyclopedia of Chemicals, Drugs and Biologicals 10th ed. p 853.
3138Sadtler, N. A. Sadtler Standard Spectra.
1743Schafer , E.W.Jr., Bowles, W.A.Jr., Hurlbut, J. 1983. The acute oral toxicity, repellency and hazard potential of 993 chemicals to one or more species of wild and domestic birds. Arch. Environ. Contam. Toxicol. 12: 355 - 382.
3209Steinhaeuser, K. G. et al. 1986. Vom Wasser 67: 147-154.
1468Verschueren, K. 1983. Handbook of environmental data of organic chemicals. Van Nostrand Reinhold Co. Inc., New York. 1310 s.
3012Weber, R. C. et al. 1981. Vabor Pressure Distribution of Selected Organic Chemicals. USEPA-600/2-81-021 p 24.

 
 
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