Fate, weathering, behaviour and toxicity of priority Hazardous and Noxious Substances

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On this database it is collected information on fate, weathering, behaviour and toxicity of priority Hazardous and Noxious Substances (HNS) from different sources. This systematized information is a useful tool to predict the behaviour of priority HNS in accidental spills, backing spill preparedness and effective decision-making process. This database also provides an important support to environmental and human health risk assessment, and monitoring actions.

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Name: Nitrobenzene

CAS Number: 98-95-3

UN Number: 1662

Formulae: C6H5NO2

Name: Nitrobenzene

CAS Number: 98-95-3

UN Number: 1662

Formulae: C6H5NO2

Physicochemical properties/Characteristics

SD

Physical behaviour (GESAMP, 2016)

1, 2

123.111

Molecular Weight
(g/mol)

2

1.20

Density
(kg/L)

2

0.03

Vapour pressure
(KPa; 25ºC)

2

2090

Water solubility
(mg/L; 25ºC)

2

1.86

Dynamic viscosity
(mPa.s; 25ºC)

2, 3

5.7

Melting point (ºC)

2

210.8

Boiling point (ºC)

2

94.9

Volatilization half-life (days)

4
  1. G: gas; D: dissolver; E: evaporator; F: floater; S: sinker; GD: gas/dissolver; DE: dissolver/evaporator; FD: floater/dissolver; FE: floater/evaporator; FED: floater/evaporator/dissolver; Fp: persistent floater; SD: sinker/dissolver
  2. Values collected from the literature and public databases e.g. PubChem
  3. “-“ corresponds to values not found
  4. Values estimated with models of the EPI suiteTM

Fugacity/Persistence

1.97

Air

4, 5

96.80

Water

4, 5

0.23

Soil

4, 5

1.01

Sediment

4, 5

13.7

Persistence (days)

4
  1. Values estimated with models of the EPI suiteTM
  2. In the present study, only emissions in water were considered

Physicochemical degradation/Biodegradation

526.7

Atmosferic Oxidation (hours)

4

R

Biodegradation rate (GESAMP, 2016)

6, 7

0.06

Aerobic biodegradation probability

4

3.57 days-weeks

Primary aerobic biodegradation half-life

4, 8

2.78 weeks

Ultimate aerobic biodegradation half-life

4, 8

-

Hydrocarbon Biodegradation half-life (days)

3, 4

0.36

Anaerobic Biodegradation probability

4
  1. “-“ corresponds to values not found
  2. Values estimated with models of the EPI suiteTM
  3. Results obtained from the literature
  4. GESAMP criteria consider substances to be “readily biodegradable” (R) if, in 28-day biodegradation studies, the following levels of degradation are achieved: in tests based upon dissolved organic carbon (DOC) die-away: ≥ 70%; or in tests based upon oxygen depletion or carbon dioxide generation: ≥ 60% of the theoretical maxima; or where only chemical oxygen demand (COD) and biochemical oxygen demand (BOD5) data are available, the ratio of BOD5/COD ≥ 0.5; or where other convincing scientific evidence is available to demonstrate that the substance can be degraded (biotically and/or abiotically) in the aquatic environment to a level of > 70% within a 28-day period. Otherwise they are “not readily biodegradable” (NR) (GESAMP, 2014).
  5. See Table 1 in the supplementary material for more information on the rating reported by Boethling et al. (1994)

Bioaccumulation/Biotransformation

0.10

Biotransformation half-life (days)

2

1.85

Partition coefficient (log Kow)

2

6.4

Bioconcentration factor (BFC)

4

1

Bioaccumulation rate (GESAMP, 2016)

9

2.15

Adsorption coefficient (log koc)

2
  1. Values collected from the literature and public databases e.g. PubChem
  2. Values estimated with models of the EPI suiteTM
  3. See Table 2 in the supplementary material for more information on Bioaccumulation rate classification (GESAMP, 2014)

Aquatic Toxicity

3

Acute toxicity (GESAMP, 2016)

10

4

Chronic toxicity (GESAMP, 2016)

3, 10
  1. “-“ corresponds to values not found
  2. See Table 3 in the supplementary material for more information on Aquatic Toxicity classification (GESAMP, 2014)

Acute Mammals/Human health effects

2

Oral Toxicity (GESAMP, 2016)

11

2

Dermal toxicity (GESAMP, 2016)

11

2

Inhalation toxicity (GESAMP, 2016)

11

1

Skin irritation & corrosion (GESAMP, 2016)

11

1

Eye irritation & corrosion (GESAMP, 2016)

11

2

Toxicity

12

3

Severity

12
  1. See Table 4 in the supplementary material for more information on Human health (Toxic effects to mammals) classification (GESAMP, 2014)
  2. For more information on Toxicity and Severity scores consult Harold et al. (2014)

Chronic Human/Mammals health effects

1

Carcinogenicity (IARC)

3, 13

No

Mutagenicity (GESAMP, 2016)

11

Yes

Reprotoxicity (GESAMP, 2016)

11

No

Sensitizing to skin (GESAMP, 2016)

11

No

Aspiration hazard (GESAMP, 2016)

11

Yes

Target Organ Toxicity (GESAMP, 2016)

11

No

Sensitizing to respiratory system (GESAMP, 2016)

11

No

Neurotoxicity (GESAMP, 2016)

11

No

Immunotoxicity (GESAMP, 2016)

11
  1. “-“ corresponds to values not found
  2. See Table 4 in the supplementary material for more information on Human health (Toxic effects to mammals) classification (GESAMP, 2014)
  3. See Table 5 in the supplementary material for more information on IARC classification

Toxicity tests results
PNECseawater: 3.8 µg/L
PNECwater, intermittent: 66.8 µg/L

Algae

EC50

Parameter

1

20.79

Concentration
(mg/L)

Green algae - Pseudokirchneriella subcapitata

Species

Decreased population biomass

Endpoint

Freshwater; Static; 24 °C; 96h-exposure; 3-7d age

Observations

1

EC50

Parameter

2

43

Concentration
(mg/L)

Green algae - Selenastrum capricornutum

Species

Growth inhibition

Endpoint

Freshwater; 96h-exposure

Observations

2

EC50

Parameter

3

67.7

Concentration
(mg/L)

Green algae - Scenedesmus obliquus

Species

Growth inhibition

Endpoint

Freshwater; Static; 48h-exposure

Observations

3

EC50

Parameter

2

9.7

Concentration
(mg/L)

Algae - Skeletonema costatum

Species

Growth inhibition

Endpoint

Saltwater; 96h-exposure

Observations

4

EC50

Parameter

4

28

Concentration
(mg/L)

Green algae - Chlorella pyrenoidosa

Species

Decreased population growth rate

Endpoint

Freshwater; Static; 22 °C; 72h-exposure

Observations

5

EC50

Parameter

5

18

Concentration
(mg/L)

Green algae - Chlorella pyrenoidosa

Species

Growth

Endpoint

Freshwater; Static; 25 °C; 96h-exposure; Exponential growth phase (log)

Observations

6

EC3

Parameter

6

1.9

Concentration
(mg/L)

Algae - Microcystis aeruginosa

Species

Population changes

Endpoint

Freshwater; Static; 8d-exposure

Observations

7
  1. Bollman MA et al; EPA 600/3-90-041. U.S.EPA, Corvallis, OR: 186 p. (1989) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed November 5, 2015)
  2. International Programme on Chemical Safety (IPCS); Environmental Health Criteria 230: Nitrobenzene (2003). Available at: http://www.inchem.org/documents/ehc/ehc/ehc230.htm (accessed November 5, 2015)
  3. European Union Risk Assessment Report: Nitrobenzene, Part I, Environment, V. 77 (2007). Available at: https://echa.europa.eu/documents/10162/a4e6c593-b26c-4235-9549-3af825bdcab7 (accessed November 4, 2015)
  4. Ramos EU et al; Aquat Toxicol 46 (1): 1-10 (1999) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed November 5, 2015)
  5. Maas-Diepeveen JL, Van Leeuwen CJ; Report No. 86-42, Laboratory for Ecotoxicology, Institute for Inland Water Management and Waste Water Treatment: 10 p. (1986) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed November 5, 2015)
  6. Bringmann G, Kühn R; Grenzwerte der Schadwirkung wassergefaehrdender Stoffe gegen Blaualgen (Microcystis aeroginosa) und Gruenalgen (Scenedesmus quadricauda) im Zellvermehrungshemmtest. Vom Wasser 50: 45-60 (1978)

Invertebrates

EC50

Parameter

1

1.5

Concentration
(mg/L)

Flatworm - Dugesis japonica

Species

Growth inhibition

Endpoint

7d-exposure

Observations

8

EC50

Parameter

2

11.5

Concentration
(mg/L)

Water flea - Daphnia magna

Species

Intoxication; immobilization

Endpoint

Freshwater; Static; 20 °C; 24h-exposure; < 24h age

Observations

9

EC50

Parameter

3

34.6

Concentration
(mg/L)

Water flea - Daphnia magna

Species

Intoxication; immobilization

Endpoint

Freshwater; Static; 18-20 °C; 48h-exposure; 24h age

Observations

10

LC50

Parameter

1

2

Concentration
(mg/L)

Flatworm - Dugesis japonica

Species

Mortality

Endpoint

7d-exposure

Observations

11

LC50

Parameter

3

116

Concentration
(mg/L)

Great pond snail - Lymnaea stagnalis

Species

Mortality

Endpoint

Freshwater; Static; 21-24 °C; 24h-exposure; 2-3 months age

Observations

12

LC50

Parameter

4

24

Concentration
(mg/L)

Water flea - Daphnia magna

Species

Mortality

Endpoint

Freshwater; Static; 22 °C; 24h-exposure; ≤ 24h age

Observations

13

LC50

Parameter

4

27

Concentration
(mg/L)

Water flea - Daphnia magna

Species

Mortality

Endpoint

Freshwater; Static; 22 °C; 48h-exposure; ≤ 24h age

Observations

14

LC50

Parameter

5

54.4

Concentration
(mg/L)

Water flea - Ceriodaphnia dubia

Species

Mortality

Endpoint

Freshwater; Static; 25 °C; 24h-exposure; < 24h age

Observations

15

LC50

Parameter

1

6.7

Concentration
(mg/L)

Opossum shrimp - Mysidopsis bahia

Species

Mortality

Endpoint

Saltwater; 96h-exposure

Observations

16 Lowest

LC50

Parameter

1

70

Concentration
(mg/L)

Midge - Culex pipiens

Species

Mortality

Endpoint

2d-exposure

Observations

17

NOEC

Parameter

6

1.9

Concentration
(mg/L)

Water flea - Daphnia magna

Species

Reproduction rate

Endpoint

Freshwater; 21d life-cycle test

Observations

18 Lowest
  1. International Programme on Chemical Safety (IPCS); Environmental Health Criteria 230: Nitrobenzene (2003). Available at: http://www.inchem.org/documents/ehc/ehc/ehc230.htm (accessed November 5, 2015)
  2. Tosato ML et al; Environ Sci Technol 25: 695-702 (1991) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed November 5, 2015)
  3. Ramos EU et al; Chemosphere 37 (4): 633-650 (1998) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed January 19, 2017)
  4. LeBlanc GA; Bull Environ Contam Toxicol 24 (5): 684-691 (1980) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed November 6, 2015)
  5. Marchini S et al; Sci Total Environ Suppl: 799-808 (1993) as cited in the ECOTOX database. Available at: https://cfpub.epa.gov/ecotox/quick_query.htm (accessed February 15, 2017)
  6. Canton J et al; Toxicity, biodegradability and accumulation of a number of Cl/N-containing compounds for classification and establishing water quality criteria. Regulatory Toxicology and Pharmacology 5: 123-131 (1985)

Fish

LC50

Parameter

1

24

Concentration
(mg/L)

Japanese medaka - Oryzias latipes

Species

Mortality

Endpoint

Freshwater; Static; 25 °C; 24h-exposure

Observations

19

LC50

Parameter

2

1.8

Concentration
(mg/L)

Japanese medaka - Oryzias latipes

Species

Mortality

Endpoint

Freshwater; Static; 20 °C; 48h-exposure

Observations

20

LC50

Parameter

3

60

Concentration
(mg/L)

Carp - Leuciscus idus ssp. melanotus

Species

Mortality

Endpoint

Freshwater; 48h-exposure

Observations

21

LC50

Parameter

4

135

Concentration
(mg/L)

Bluegill - Lepomis macrochirus

Species

Mortality

Endpoint

Freshwater; Static; 21-23 °C; 24h-exposure; Young of year

Observations

22

LC50

Parameter

4

43

Concentration
(mg/L)

Bluegill - Lepomis macrochirus

Species

Mortality

Endpoint

Freshwater; Static; 21-23 °C; 96h-exposure; Young of year

Observations

23

LC50

Parameter

5

24.24

Concentration
(mg/L)

Rainbow trout - Oncorhynchus mykiss

Species

Mortality

Endpoint

Freshwater; Static; 96h-exposure

Observations

24

LC50

Parameter

6

152

Concentration
(mg/L)

Guppy - Poecilia reticulata

Species

Mortality

Endpoint

Freshwater; Static; 20-25 °C; 24h-exposure; 2-3 months age

Observations

25

LC50

Parameter

7

61.7

Concentration
(mg/L)

Guppy - Poecilia reticulata

Species

Mortality

Endpoint

Freshwater; Static; 25 °C; 14d-exposure; 3-4 weeks age

Observations

26

LC50

Parameter

6

141

Concentration
(mg/L)

Guppy - Poecilia reticulata

Species

Mortality

Endpoint

Freshwater; Renewal; 20-25 °C; 48h and 72h-exposure; 2-3 months age

Observations

27

LC50

Parameter

6

135

Concentration
(mg/L)

Guppy - Poecilia reticulata

Species

Mortality

Endpoint

Freshwater; Renewal; 20-25 °C; 96h-exposure; 2-3 months age

Observations

28

LC50

Parameter

8

112.5

Concentration
(mg/L)

Zebrafish - Danio rerio

Species

Mortality

Endpoint

Static; 96h-exposure

Observations

29

LC50

Parameter

9

101

Concentration
(mg/L)

Zebrafish - Danio rerio

Species

Mortality

Endpoint

Freshwater; Flow through; 23 °C; 48h-exposure

Observations

30

LC50

Parameter

9

92

Concentration
(mg/L)

Zebrafish - Danio rerio

Species

Mortality

Endpoint

Freshwater; Flow through; 23 °C; 96h-exposure

Observations

31

LC50

Parameter

10

163

Concentration
(mg/L)

Fathead minnow - Pimephales promelas

Species

Mortality

Endpoint

Freshwater; Flow through; 24.6 °C; 24h-exposure; 31-35d age

Observations

32

LC50

Parameter

10

156

Concentration
(mg/L)

Fathead minnow - Pimephales promelas

Species

Mortality

Endpoint

Freshwater; Flow through; 24.6 °C; 48h-exposure; 31-35d age

Observations

33

LC50

Parameter

10

127

Concentration
(mg/L)

Fathead minnow - Pimephales promelas

Species

Mortality

Endpoint

Freshwater; Flow through; 24.6 °C; 72h-exposure; 31-35d age

Observations

34

LC50

Parameter

10

117

Concentration
(mg/L)

Fathead minnow - Pimephales promelas

Species

Mortality

Endpoint

Freshwater; Flow through; 24.6 °C; 96h-exposure; 31-35d age

Observations

35

LC50

Parameter

11

39.12

Concentration
(mg/L)

Fathead minnow - Pimephales promelas

Species

Mortality

Endpoint

Freshwater; Flow through; 25 °C; 7d-exposure; < 24h (Larva(e))

Observations

36

LC50

Parameter

12

59

Concentration
(mg/L)

Sheepshead minnow - Cyprinodon variegatus

Species

Mortality

Endpoint

Saltwater; Static; 25-31 °C; 96h-exposure; 14-28d post-hatch (Juvenile(s))

Observations

37
  1. Tonogai Y et al; J Toxicol Sci 7 (3): 193-203 (1982) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed November 6, 2015)
  2. Yoshioka Y et al; Ecotoxicol Environ Saf 12 (1): 15-21 (1986) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed November 6, 2015)
  3. Juhnke I, Luedemann D; Z Wasser-Abwasser-Forsch 11 (5): 161-164 (1978) as cited in the ECOTOX database. Available at: https://cfpub.epa.gov/ecotox/quick_query.htm (accessed February 15, 2017)
  4. Buccafusco RJ et al; Bull Environ Contam Toxicol 26 (4): 446-452 (1981) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed November 6, 2015)
  5. Castano A et al; Chemosphere 32 (11): 2141-2157 (1996) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed November 6, 2015)
  6. Ramos EU et al; Acute Toxicity of Polar Narcotics to Three Aquatic Species (Daphnia magna, Poecilia reticulata and Lymnaea stagnalis) and Its Relation to Hydrophobicity. Chemosphere 37 (4): 633-650 (1998)
  7. Maas-Diepeveen JL, Van Leeuwen CJ; Report No. 86-42, Laboratory for Ecotoxicology, Institute for Inland Water Management and Waste Water Treatment: 10 p. (1986) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed November 5, 2015)
  8. Wellens H; Z Wasser-Abwasser-Forsch 51 (2): 49-52 (1982) as cited in the ECOTOX database. Available at: https://cfpub.epa.gov/ecotox/quick_query.htm (accessed February 15, 2017)
  9. Roderer G; Fraunhofer-Institut fur Umweltchemie und Okotoxikologie, Schmallenberg: German Dataset (1990) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed November 6, 2015)
  10. Holcombe GW et al; Environ Pollut A 35 (4): 367-381 (1984) as cited in the ECOTOX database. Available at: https://cfpub.epa.gov/ecotox/quick_query.htm (accessed January 19, 2017)
  11. Marchini S et al; Environ Toxicol Chem 11 (2): 187-195 (1992) as cited in the ECOTOX database. Available at: https://cfpub.epa.gov/ecotox/quick_query.htm (accessed February 15, 2017)
  12. Heitmuller PT et al; Bull Environ Contam Toxicol 27 (5): 596-604 (1981) as cited in the ECOTOX database. Available at: http://cfpub.epa.gov/ecotox/quick_query.htm (accessed November 6, 2015)

Amphibians

LC50

Parameter

1

121

Concentration
(mg/L)

African clawed frog - Xenopus laevis

Species

Mortality

Endpoint

Semi-static; 96h-exposure; 3-4 weeks age

Observations

38
  1. European Union Risk Assessment Report: Nitrobenzene, Part I, Environment, V. 77 (2007). Available at: https://echa.europa.eu/documents/10162/a4e6c593-b26c-4235-9549-3af825bdcab7 (accessed November 4, 2015)

Mammals

LD50

Parameter

1

590

Concentration
(mg/kg)

Mouse

Species

Mortality

Endpoint

Acute; oral

Observations

39

LD50

Parameter

2

600

Concentration
(mg/kg)

Rat

Species

Mortality

Endpoint

Acute; oral

Observations

40

LD50

Parameter

1

640

Concentration
(mg/kg)

Rat

Species

Mortality

Endpoint

Acute; intraperitoneal

Observations

41

LD50

Parameter

1

2100

Concentration
(mg/kg)

Rat

Species

Mortality

Endpoint

Acute; dermal

Observations

42
  1. Lewis RJ Sr; Sax's Dangerous Properties of Industrial Materials. 11th ed. Wiley-Interscience, Wiley & Sons, Inc., Hoboken, NJ. (2004)
  2. O'Neil MJ; The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Merck and Co., Inc., Whitehouse Station, NJ (2006)
References

Boethling RS, Howard PH, Meylan W, Stiteler W, Beauman J, Tirado N. 1994. Group contribution method for predicting probability and rate of aerobic biodegradation. Environ. Sci. Technol. 28: 459-465.

Bonn Agreement, 1994. European Classification System, Bonn Agreement: Counter-Pollution Manual. Bonn Agreement, London (Chapter 25).

GESAMP (IMO/FAO/UNESCO-IOC/WMO/WHO/IAEA/UN/UNEP Joint Group of Experts on the Scientific Aspects of Marine Environmental Protection), 2014. Revised GESAMP Hazard Evaluation Procedure for Chemical Substances Carried by Ships, 2nd edition. Rep. Stud. GESAMP No. 64, 126 pp.

GESAMP Composite List, 2016. ANNEX 5 – UPDATED GESAMP COMPOSITE LIST. Available at: https://edocs.imo.org/Final Documents/English/PPR 1-CIRC.3 (E).docx (Accessed: December 12, 2016).

Harold PD, Souza AS, Louchart P, Russell D, Brunt H, 2014. Development of a risk based prioritisation methodology to inform public health emergency planning and preparedness in case of accidental spill at sea of hazardous and noxious substances (HNS). Environ. Int. 72: 157-163.