www.ymparisto.fi
 
 
Data bank of environmental chemicals     |     The Finnish Environment Institute (SYKE)
 


20.4.2024

Data bank of environmental properties of chemicals


Chemical 
Chlorobenzene
CAS-number : 
108-90-7
 
Synonyms :
Benzene chloride
Chlorbenzene
fenyylikloridi
Klooribentseeni
MCB
Monochlorobenzene
monoklooribentseeni
Phenylchloride
 
Sumformula of the chemical :
C6H5Cl C6H5Cl
EINECS-number :
2036285
 
Uses : 
Intermediate in dyestuffs manufacturing; manufacturing aniline;
insecticide; phenol; solvent.
 
State and appearance : 
Colourless liquid.
 
Odor : 
Characteristic; chlorinated mothballs, aromatic.

Human odour perception: 0.4 mg/m3 = 0.09 ppm;
human reflex response: no response: 0.1 mg/m3
rse response: 0.2 mg/m3
animal chronic exposure: no effect: 0.1 mg/m3
verse effect: 1.0 mg/m3
(Stern 1968).

Odour index: 52600, 20 °C (Verschueren 1983).
 
Molecular weight : 
112.56
113
 
Spesicif gravity (water=1) :
1.1066  at 20/4 °C
 
Vapor density (air=1) :
3.88 
 
Conversion factor, 1 ppm in air=_mg/m3 :
4.678  mg/m3
 
Conversion factor, 1 mg/m3 in air=_ppm :
0.217  ppm
 
Vapor pressure, mmHg :
8.8  20 °C
11.8  25 °C
15  30 °C
 
Water solubility, mg/l :
500  20 °C
488  30 °C
502  25 °C, Banerjee 1984
471.7  at 25 °C, Mackay et al. 1979
 
Melting point, °C :
-45 
-45.6  Suntio et al. 1988
-45  MITI 1992
 
Boiling point, °C :
132 
131  131-132, MITI 1992
 
Log octanol/water coefficient, log Pow :
2.84  20 °C ANON 1986
2.18  2.18 - 3.79, Sabljic 1987
3.79 
2.84  Chin et al. 1986
2.98  Anon 1988
2.71  Schwarzenbach & Westall 1981
2.84  Hansch & Leo 1979
2.83  Yalkowsky 1979
2.81  Konemann et al. 1979
2.98  Miller et al. 1984
2.63  Mackay et al. 1979
3.79  Mackay 1982
2.84  Sangster 1989
2.84  Hansch & Leo 1985
 
Log organic C/water coefficient, log Pcw :
2.59  exptl, Schwarzenbach & Westall 1981
2.44  calcd, Schwarzenbach & Westall 1981
 
Henry's law constant, Pa x m3/mol :
367.7  calc., Mackay et al. 1979
382  exptl., Mackay et al. 1979
460  calc. Yaws et al. 1991
350  Mackay & Shiu 1981
 
Mobility : 
Equilibrium distribution:
         mass %
air     99.45
water    0.48
solid    0.07
(Anon 1988).
 
Photochemical degradation in air : 
Chlorobenzene absobs light in the 290-310 nm region, suggesting
that this compound may photolyze in the troposphere. 
This
process will occur over the course of a moth in the atmosphere.

Monochlorobiphenyl has been identified as a photoproduct
(Howard 1989).

Oxidation by hydroxyl radicals and in air-NOx systems (smog
situations) is reativelyfast and results in 5-10 % loss/day
inthe first case. 
The half-life for chlorobenzene vapor
reacting with photochemically generated hydroxyl radicals in
the atmosphere has been estimated to be 17 days (measured rate
constant was 0.94x10-12 cm3/molecules-sec; room tenperature;
average ambient hydroxyl radical concentration was 5.0x10+5
molecules/cm3) The rate of reaction when NOx is present is
somewhat higher (Atkinson 1987) (Singh 1981).

Products formed include chlorphenols, nitrochlorophenols and
m-chloronitrophenols (Kanno & Nojima 1979).

Photooxidation half-life in air:
30.4d - 3.0d, based upon measured rate data for the vapor phase
reaction with hydroxyl radicals in air (Howard 1991).
 
Photochemical degradation in water : 
Photooxidation half-life in water:
7.1yr - 64.7d, based upon measured rate data for hydroxyl 
radicals in aqueous solution (Howard 1991).
 
Hydrolysis in water : 
First-order hydrolysis half-life:
>879yr, scientific judgement based upon rate constant (<0.9 M-1 
hr-1) extrapolated to pH 7 at 25°C from 1% disappearance after 
16 days at 85°C and pH 9.7 (Howard 1991).
 
Hydrolysis in base : 
Base rate constant (M(OH-)-hr)-1: <0.9
scientific judgement based upon 1% disappearance after 16 days 
at 85°C and pH 9.7 (Howard 1991).
 
Half-life in air, days :
30.4  30.4d - 3.0d,
3  based upon photooxidation half-life in air.
  Howard 1991
 
Half-life in soil, days :
150  150d - 68d,
68  scientific judgement based upon estimated aqueous aerobic biodegradation half-life.
  Howard 1991
 
Half-life in water, days :
150  150d - 68d,
68  in surface water: scientific judgement based upon unacclimated aerobic river die-away tests.
300  300d - 136d,
136  in ground water: scientific judgement based upon estimated aqueous aerobic biodegradation half-life.
  Howard 1991
 
Aerobic degradation in water : 
Aerobic half-life:
150d - 68d, scientific judgement based upon unacclimated 
aerobic river die-away tests (Howard 1991).
 
Anaerobic degradation in water : 
Anaerobic half-life:
600d - 272d, scientific judgement based upon estimated aqueous 
aerobic biodegradation half-life (Howard 1991).
 
Total degradation in water : 
Biodegradation:

0% by BOD
period: 28d
substance: 30 mg/l
sludge:100 mg/l
(MITI 1992)
 
Ready biodegradability : 
Confirmed to be non-biodegradable (Anon. 1987).
 
Other information of degradation : 
Impact on biodegradation processes: at 100 mg/l, no inhibition
of NH3 oxidation by Nitrosomonas sp. 
(Hockenbury & Grady 1977).

Degradation of chlorobenzene:
*-------------------------------------------------------------*
ENVIRONMENT  INIT.CONC   REDOX-       TEMP   DEGRADATION  REF.
             mg/l        COND         °C     %/day
*-------------------------------------------------------------*
water        200         aerobic      30     100/58       a
water          5         aerobic      25      49/7        b
water         10         aerobic      25      37/7        b
water (adapted) 5        aerobic      25     100/7        b
water (adapted)10        aerobic      25      95/7        b
groundwater     0.01     aerobic       -      91/20       c
groundwater     0.01  sulfate reducing -       0/1000     c
groundwater     0.01  nitrate reducing -       0/1000     c
groundwater     0.01    methanogen     -       0/1000     c
sediment       <0.0001  methanogen    20       0/230      d
*-------------------------------------------------------------*
a) Verschueren 1983             c) Bouwer 1987
b) Tabak et al. 1981            d) Horowitz et al. 1982
 
Bioconcentration factor, fishes :
4.3  4.3 - 40, 8w, Cyprinus carpio, conc 0.15 mg/l,
40 
3.9  3.9 - 23, 8w, Cyprinus carpio, conc 0.015 mg/l,
23  MITI 1992
  --
70  72 hr, Leuciscus idus melanotus, KT 1995
 
Other information of bioaccumulation : 
Confirmed to be non-accumulative or low accumulative (Anon.
1987).
 
LD50 values to mammals in oral exposure, mg/kg :
2910  orl-rat, Lewis & Sweet 1984
2830  orl-rbt, - " -
  --
5060  orl-gpg, Sweet 1987
2250  orl-rbt
  --
1440  orl-mus
2090  orl-rat
2250  orl-rbt
5060  orl-gpg, KT 1995
 
LD50 values to mammals in non-oral exposure , mg/kg :
515  ipr-mus * Sweet 1987
 
LC50 values to mammals in inhalation exposure, ppm :
12000  ihl-rat, 30 min., Verschueren 1983
8000  ihl-cat, 30 min.
 
LDLo values to mammals in oral exposure, mg/kg :
250  orl-mus, Sweet 1987
 
LDLo values to mammals in non-oral exposure , mg/kg :
4100  ipr-gpg, Sweet 1987
7400  ipr-rat
7000  scu-rat
 
LCLo values to mammals in inhalation exposure, mg/kg :
15000  ihl-mus, Lewis & Sweet 1984
  --
15  ihl-mus, Sweet 1987
 
TCLo values to mammals in inhalation exposure, ppm :
75  ihl-rat, 6hr, 6-15d preg.
  specific developmental abnormalities
210  ihl-rat, 6hr, 6-15d preg.
  specific developmental abnormalities
590  ihl-rbt, 6hr, 6-18d preg.
  effects on fertility
10  ihl-rbt, 6hr, 6-18d preg.
  specific developmental abnormalities
  Sweet 1987
 
Other information of mammals : 
Rabbits: oral dose: no effect, 14.4 mg/kg, 192 days;
Rabbits: oral dose: slight dip in growth, 144 mg/kg, 192 days
(Verschueren 1983).

Guinea pigs: inhalation: no effect, 200 ppm, 7 hr/day, 5
days/week, 44 days;
cat: inhalation; death after 7 hr, 3700 ppm;
cat; inhalation: tolerated for 1 hr, 220 - 660 ppm
(Patty 1967).
 
Health effects : 
Man: severe toxic effects; 400 ppm = 1872 mg/m3, 60 min.
     symptoms of illness: 200 ppm = 936 mg/m3, 60 min.
     
(Verschueren 1983).

Acute exposure to chlorobenzene by inhalation causes sensory
irritation of the respiratory systems after several minutes;
prolonged exposure causes narcosis and central nervous system
depression. 
Prolonged and repeated exposure can damage to the
liver and kidneys (KT 1995).
 
Carcinogenicity : 
NTP carcinogenesis studies (gavage); some evidenxe: rat; no
evidenxe: mouse (Sweet 1987).
 
Maximum longterm immission concentration in air for plants,mg/m3 :
5  VDI 2306
 
Maximum longterm immission concentration in air for plants,ppm :
1  VDI 2306
 
Effects on microorganisms : 
Toxicity threshold (cell multiplication inhibition test):
bacteria (Pseudomonas putida): 17 mg/l (Bringmann & Kühn 
1980a).
 
EC50 values to microorganism, mg/l :
15  15 min Microtox, Hermens et al. 1985
  --
410  0.5 hr, Resazurin reduction, methanol
400  0.5 hr, Resazurin reduction, ethanol
400  0.5 hr, Resazurin reduction, acetone
470  0.5 hr, Resazurin reduction, DMSO
  Thompson et al. 1986
 
EC50 values to algae, mg/l :
12.5  96hr, growth, Selenastrum capricornutum
33  3hr, photosynthesis, Selenastrum
  capricornutum, Calamari et al. 1983
 
LOEC values to algae, mg/l :
120  Microcystis aeruginosa, Bringmann &
  Kühn 1976
  --
390  >390 mg/l, Scenedesmus quadricauda, KT 1995
 
LC50 values to crustaceans, mg/l :
86  48hr, Daphnia magna, LeBlanc 1980
  --
4  16d, Daphnia magna
  Hermens et al. 1984
  --
4.3  24hr, Daphnia magna, Calamari et al.
  1983
 
EC50 values to crustaceans, mg/l :
4.3  srv, 24 hr, Daphnia magna
  Calamari et al. 1983
  --
1.1  rpd, 16 d, Daphnia magna, Hermens et al.
 
NOEC values to crustaceans, mg/l :
1  16d, srv, Daphnia magna
0.32  16d, rpd, Daphnia magna
  Hermens et al. 1984
 
LC50 values to fishes, mg/l :
0.05  0.05-0.35, 96 hr, Micropterus salmoides
0.35  Birge et al. 1979
  --
29  96hr, Pimephales promelas
24  96hr, Lepomis macrochirus
45  96hr, Poelicia reticulata
  Jones 1971
  --
16  96hr, Lepomis macrochirus
  Buccafusco et al. 1981
  --
4.7  96hr, Salmo gairdneri,Dalich et al.1982
  --
4.1  48hr, Salmo gairdneri
10.5  48hr, Brachydanio rerio
  Calamari et al. 1983
  --
17  48hr, Oryzias latipes, MITI 1992
  --
4.7  4.7-7.5, 96 hr, Oncorhynchos mykiss
7.5 
0.1  <0.1, 16 d, Oncorhynchos mykiss
  KT 1995
  --
16.9  96 hr, Pimephales promelas, Geiger et al. 1990
 
EC50 values to fishes, mg/l :
16.9  96 hr, mbt, Pimephales promelas, Geiger et al. 1990
 
NOEC values to fishes, mg/l :
4.8  28 d, Brachydanio rerio, KT 1995
 
Other information of water organisms : 
LD50 (24hr), 1.8 ml/kg, Salmo gairdneri (Verschueren 1983).

Toxicity threshold (cell multiplication inhibition test):
algae (Microcystis aeruginosa): 120 mg/l
(Bringmann & Kühn 1976)
green algae (Scenedesmus quadricauda): > 390 mg/l
protozoa (Entosiphon sulcatum): > 390 mg/l
(Bringmann & Kühn 1980a)
protozoa (Uronema parduczi): > 392 mg/l
(Bringmann & Kühn 1980b).
 
Other effects on aquatic ecosystems : 
Reduction af amenities:
Threshold Odour Concentration: 0.1 mg/l (Verschueren 1983).

References
3244Aelion, C. M. et al. 1987. Appl. Environ. Microbiol 53: 2212 - 2217.
2357Anon 1988. Concentrations of industrial organic chemicals measured in the environment: The influence of physico - chemical properties, tonnage and use pattern. Technical report no 29. European chemical industry ecology & toxicology centre, ECETOC. pp. 105.
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.
2333Anon. 1987b. Nedbrydelighed af miljøfremmede organiske stoffer. Utredningsrapport U1. Lossepladsprojektet.
2283Anon.1986a. Evaluation of the OECD laboratory intercomparison testing on the determination of the partition coefficient n-octanol-water by reverse phase HPLC. Report. Fraunhofer-Institut für Umweltchemie und Ökotoxikologie.
3158Atkinson, R. 1987. Inter. J. Chem. Kinet. 19:799-828.
2606Banerjee, S. 1984. Environ. Sci. Technol. 18: 587 - 591.
148Birge, W.J. et al. 1979b. Toxicity of organic chemicals to embryo-larval stages of fish. EPA-560/11-79-007, U.S. Environmental Protection Agency, Washington, D.C.
2354Bouwer, E.J. 1987. Biotransformation of contaminants in groundwater. Presented at the third national water conference. January 13 - 15. Philadelphia, Pennsylvania, 13 pp.
187Bringmann, G. & Kühn, R. 1976. Vergleichende Befunde der Schadwirkung wassergefährdender Stoffe gegen Bakterien (Pseudomonas putida) und Blaualgen (Microcystis aeruginosa). Gwf-Wasser-Abwasser 117(9).
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.
207Buccafusco, R.J., Ells, S.J. & LeBlanc, G.A. 1981. Acute toxicity of priority pollutants to bluegill (Lepomis macrochirus). Bull. Environ. Contam. Toxicol. 26: 446 - 452.
3142Cadena, F. et al. 1984. J. Water Pollut. Control Fed. 56: 460 - 3.
2289Calamari, D., Galassi, S., Setti, F. & Vighi, M. 1983. Toxicity of selected chlorobenzenes to aquatic organisms. Chemosphere 12: 253 - 262.
2282Chin, Y., Weber, W.J. & Voice, T.C. 1986. Determination of partition coefficients and aqueous solubilities by reverse phase chromatography - II: Evaluation of partitioning and solubility models. Wat Res. 20 (11): 1443 - 1450.
304Dalich, G.M. et al. 1982. Acute and chronic toxicity studies with monochlorobenzene in rainbow trout. Aquat. Toxicol. 2: 127.
3297Geiger, D. L. et al. 1990. Acute toxicities of organic chemicals to fathead minnows (Pimephales promelas) Vol 5. Center for Lake Superior Environmental Studies, University of Winsconsin-Superior, Superior, Winconsin, U.S.A. 332.
2958Hansch, C and Leo, A. J. 1985. Medchem Project Issue No 26. Claremont C.A. Pomona College.
2622Hansch, C. & Leo, A. 1979. Substituent Constant for Correlation Analysis in Chemistry and Biology. Wiley: New York.
2414Hermens, J. et al. 1985c. Quantitative structure activity relationships and mixture of toxicity studies of organic chemicals in Photobacterium phosphoreum: Microtox test. Ecotox. Environ. Safety 9: 17.
578Hermens, J., Canton, H., Janssen, P. & DeJong, R. 1984a. Quantitative structure-activity relationships and toxicity studies of mixtures of chemicals with anesthetic potency: acute lethal and sublethal toxicity to Daphnia magna. Aquat. Toxicol. 5(2): 145 - 154.
579Hermens, J., Canton, H., Steyger, N. & Wegman, R. 1984b. Joint effects of a mixture of 14 chemicals on mortality and inhibition of reproduction of Daphnia magna. Aquatic Toxicol. 5: 315 - 322.
1855Hockenbury, M.R. & Grady,C.P.L. Jr. 1977. Inhibition of nitrification-effects of selected organic compounds. JWPCF, May.
2337Horowitz, A., Shelton, D.R., Cornell, C.P. & Tredje, J.M. 1982. Anaerobic degradation of aromatic compounds in sediment and digested sludge. Dev. Ind. Microbial. 23: 435 - 444.
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.
675Jones, H.R. 1971. Environmental control in the organic and petrochemical industries. Noyes Data Corporation 1971.
3046Jury, W. A. et al. 1984. J. Environ. Qual. 13: 573 - 579.
3245Kanno, S. & Nojima, K. 1979. Chemosphere 8: 225 - 232.
236Klöpffer, W. 1978. Reflections on the relationship between chemical structure, physical properties and environmental behaviour of chemicals. In: Tests for the ecological effects of chemicals, Umweltbundesamt, Bericte 10/78, erschienen im Erich-Schmidt-Verlag, Berlin.
2627Konemann, H., Zelle, R., Busser, F. and Hammers, W. E. 1979. J. Chromatogr. 178: 559 - 565.
3248KT 1995. Chemical information sheet: chlorobenzene (available. in Finnish)/Tietoa kemikaaleista: klooribentseeni. Vesi- ja ympäristöhallitus, kemikaalivalvontayksikkö. Helsinki.
798LeBlanc, G.A. 1980. Acute toxicity of priority pollutants to water flea (Daphnia magna). Bull. Environm. Contam. Toxicol. 24: 684 - 691.
1589Lewis, R.J. & Sweet, D.V. 1984. Registry of toxic effects of chemical substances. National Institute for Occupational Safety and Health. No. 83-107-4.
861Lu, P.Y. & Metcalt, R. 1975. Environmental fate and biodegradability of benzene derivates as studied in a model aquatic ecosystem. Environ. Health Perspect. 10: 269 - 284.
2960Lyman, W. J. et al. 1982. Handbook of Chemical Property Estimation Methods. Environmental behavior of organic compounds. McGraw-Hill New York.
2777Mackay, D. 1982. Correlation of bioconcentration factors. Environ. Sci. Technol., 16(5): 274 - 278.
2983Mackay, D. and Shiu, W. Y. 1981. J. Phys. Chem. Ref. Data 19: 1175 - 1199.
2631Mackay, D., Shiu, W. Y. and Sutherland, R. P. 1979. Environ. Sci. Technol. 13: 333.
2631Mackay, D., Shiu, W. Y. and Sutherland, R. P. 1979. Environ. Sci. Technol. 13: 333.
2639Miller, M. M., Ghodbane, S., Wasik, S. P., Tewari, Y. B.and Martire, D. E. 1984. J. Chem. Eng. Data 29: 184 - 190.
3105MITI 1992. Biodegradation and bioaccumulation data of existing chemicals based on the CSCL Japan. Compild under the Safety Division Basic Industries Bureau Ministry of International Trade & Industry, Japan. Edited by Chemicals Inspection & Testing Institute, Japan.
1644Patty, F.A. 1967. Industrial hygiene and toxicology. Vol 2. Interscience Publishers.
2324Sabljic, A. 1987. On the prediction of soil sorption coefficients of organic pollutants from molecular structure: application of molecular topology model. Environ. Sci. Technol. 21: 358 - 366.
3104Sangster, J. 1989. Octanol-water partition coefficients of simple organic compounds. J. Phys. Chem. Ref. Data, Vol 18, No. 3: 1111 - 1229.
2435Schwarzenbach, R. P. and Westall J. 1981. Transport of nonpolar organic compounds from surface water to groundwater. Laboratory sorption studies. Environmental Science & Technology 15(11): 1360 - 1367.
3246Singh, H. B. et al. 1981. Atmos. Environ. 15: 601 - 612.
1598Stern, A.C. 1968. Air Pollution. Vol. 3, Academic Press N.Y., London. 661 pp.
2602Suntio, L. R., Shiu, W. Y. and Mackay, D. 1988. A review of the nature and properties of chemicals present in pulp mill effluents. Chemosphere 17(7): 1249 - 1290.
2988Swann, R. L. et al. 1984. Res. Rev. 85: 17 - 28.
2101Sweet, D. 1987. Registry of toxic effects of chemical substances 1985 - 1986 edition. U.S. Department of health and human services.
2335Tabak, H.H., Quave, S.A., Mashni, C.I. & Barth, E.F. 1981. Biodegradability studies with organic priority pollutant compounds. Journal WPCF. 53: 1503 - 1518.
2421Thompson, K. et al. 1986. A direct resazurin test for measure chemical toxicity. Toxicity Assessment 1: 407.
2564Veith, G.D., DeFoe, D.L. & Bergstedt, B.V. 1979. Measuring and estimating the bioconcentration factor of chemicals in fish. J. Fish Res. Bd. Can. 36: 1040 - 1048.
1468Verschueren, K. 1983. Handbook of environmental data of organic chemicals. Van Nostrand Reinhold Co. Inc., New York. 1310 s.
3247Wakeham, S. G. et al. 1983. Environ. Sci Tech. 17: 611 - 617.
2413Walker, J. D. 1987. Effects of chemicals on microorganisms. Journal WPCF 59 (6): 614 - 625.
2376Wilson, J.T., Enfield, C.G., Dunlap, W.H. et al. 1981. Transport and fate of selected organic pollutants in a sandy soil. J. Environ. Qual. 10 84): 501 - 506.
2658Yalkowsky, S. H. 1979. Ind. Chem. Fundam. 18: 108 - 111.
3030Yaws, C., Yang, H-C. & Pan, X. 1991. Henry's law constants for 362 organic compounds in water. Chemical Engineering. November. p 179 - 185.

 
 
© Copyright Environmental Administration