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Diss Factsheets
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EC number: 202-808-0 | CAS number: 99-99-0
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
Administrative data
Description of key information
Phototransformation in air
The irradiation of p-nitrotoluene in air yielded the nitrophenol derivative: 4-methyl-2-nitrophenol (6.1%). Through these experiments it is noticed that the reaction did never afford the directly hydroxylated derivatives of the original nitrotoluenes. It might be considered from these results that the photo-excited nitro compounds turned at first into the corresponding phenols, followed by nitration. When p-nitrotoluene was irradiated in nitrogen, the nitro group turned into a hydroxyl group. (Nojima, 1977)
- Rate constant (for indirect photolysis): 0.0000000000007722 cm³/(molecule*sec)
- Degradation in % (for indirect photolysis): 50 after 20.8 day(s)
In deviation from the U.S. EPA AOPWIN calculation program the calculated half-life is based on a mean OH radical concentration (sensitiser for indirect photolysis) of 500,000 OH radicals/cm3 as a 24 h average. (AOPWIN v. 1.89 (2000) calculation for 4-nitrotoluene, Bayer AG, 2002)
Hydrolysis
With regard to its chemical structure 4-nitrotoluene is not expected to hydrolyse under environmental conditions. (OECD SIDS, 2003, expert judgement)
Phototransformation in water
4-nitrotoluene may be susceptible to photolysis. Because nitroaromatic compounds absorb sunlight strongly in the ultraviolet and blue spectral region, they are generally susceptible to photochemical transformation in aquatic systems.
The following initial rates for photodegradation of 4-nitrotoluene in water were obtained (Dillert, 1997 and 1999):
- 0.49 µmol/lxmin
- 1.01 µmol/lxmin in the presence of 20 mmol/l H2O2 (photooxidation with hydrogenperoxide)
- 1.45 µmol/lxmin in the presence of 100 µmol/l Fe2(SO4)3
- 14.5 µmol/lxmin in the presence of both 20 mmol/l H2O2 and 100 µmol/l Fe2(SO4)3 (photo-Fenton-reaction) - 6.9 µmol/lxmin in the presence of TiO2 (photocatalysis)
- 14.5 µmol/lxmin in the presence of 100 µmol/l Fe2(SO4)3, without oxalate (photo-Fenton reaction)
- 60 µmol/lxmin in the presence of both 100 µmol/l Fe2(SO4)3 and 150 µmol/l oxalate (photo-Fenton reaction)
Taking into account the averaged annual values that pertain to near-surface conditions at latitude 40°N and based on the obtained quantum yield a half-life can be derived for 4-nitrotoluene: t1/2 = 5.9 hours It was observed that the photodegradation in pure water is slower than in natural water. The photodegradation depends on the content in humic acid and nitrates, which is higher in natural water. (Simmons, 1986)
5-Nitro-o-cresol, p-cresol, 2-methylresorcinol and p-toluidine are intermediates which can be detected for some hours during the degradation of 4-nitrotoluene. Ammonia, nitrate and CO2 were formed in different ratios depending on the test conditions employed. Acetic acid, formic acid and trace amounts of formaldehyde were also formed. The authors conclude that 2 independent routes for initial degradation exist. Pseudo-first order photolytic degradation rate constant k1 is 0.045 1/min (concentration of test substance 0.0001 mol/l) which equals about 60 min half life for the removal of TOC.
k = 0.00000962 mol/l x min (Vohra, 2002)
Additional information
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