Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 204-310-9 | CAS number: 119-27-7
- 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
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- June 2011
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study without detailed documentation
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- GLP compliance:
- not specified
- Type of method:
- flask method
- Specific details on test material used for the study:
- DNAN, a light yellow powder, provided by Defense Research and Development Canada (Valcartier, QC) and used as received.
- Key result
- Water solubility:
- ca. 0.216 g/L
- Conc. based on:
- test mat. (dissolved fraction)
- Incubation duration:
- 2 wk
- Temp.:
- 22 °C
- pH:
- 6.7
- Details on results:
- The aqueous solubility of DNAN at room temperature (22ºC) was found to be 0.216 g/ L.
Boddu et al. (2008) estimated the aqueous solubility of DNAN to be 0.276 g/ L at 25ºC. - Conclusions:
- Solubility of 2,4-dinitroanisole is 0.216 g/L in water at 25°C.
- Executive summary:
The report summarizes findings on the environmental fate and ecological impact of DNAN. Aqueous solubility (Sw), octanol/water partition coefficients (Kow), sorption and stability of DNAN in two soils (DRDC-08 and DRDC-09 as provided by DRDC) were measured.
Following a similar protocol than OECD Guideline 105 (Water Solubility), the study found that solubility of 2,4-dinitroanisole is 0.216 g/L in water at 25°C.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- June 2014
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Previously published method: Monteil-Rivera, F., Paquet, L., Deschamps, S., Balakrishnan, V.K., Beaulieu, C., Hawari, J., 2004. Physico-chemical measurements of CL-20 for environmental applications – comparison with RDX and HMX. J. Chromatogr. A 1025, 125–132.
- GLP compliance:
- not specified
- Type of method:
- flask method
- Specific details on test material used for the study:
- DNAN (98.4%) was provided by Defense Research and Development Canada (Valcartier, QC).
- Key result
- Water solubility:
- ca. 0.213 g/L
- Conc. based on:
- test mat. (dissolved fraction)
- Incubation duration:
- ca. 2 wk
- Temp.:
- 25 °C
- pH:
- 5.5
- Details on results:
- The aqueous solubility of DNAN and its major products follows the order: DNAN < 2-ANAN < 4-ANAN < DAAN. Sequential reduction of the nitro groups into amino groups increased the water solubility of the aromatic chemical. However, while the solubility of 4-ANAN (4.43 ± 0.06 g/ L) was twenty times higher than that of DNAN (0.213 ± 0.012 g/ L), that of 2-ANAN (0.252 ± 0.008 g/ L) was only slightly higher than DNAN. Two chemical phenomenons might explain these different solubilities: 1/the para isomer might have an ability to form solute–solvent intermolecular H-bonding that the ortho isomer cannot form due to the intramolecular H-bonding, or 2/the para isomer is more easily protonable than the ortho isomer. In water, substituted aminoaromatics (ArNH2) equilibrate with their acidic protonated forms (ArNH3 + ) and the dissociation constant (pKa) of the latter depends on the relative position of the NH2 group and other substituents, AMeO and ANO2 in the present case, on the aromatic ring. The pKa values measured herein show that 4-ANAN (pKa 3.50) will be more protonated and hence more soluble than 2-ANAN (pKa 2.55) in distilled water (pH 5.5). As for DAAN (pKa1 = 2.61; pKa2 = 5.46) half of the chemical is expected to be monoprotonated at the water pH of 5.5, thus explaining its markedly higher water solubility. TNT was the least soluble of all chemicals (0.15 g/ L).
- Conclusions:
- Solubility of 2,4-dinitroanisole is 0.213 g/L at 25°C, pH 5.5
- Executive summary:
Key initial abiotic and biotic reaction routes and determined relevant physicochemical parameters (pKa, logKow, aqueous solubility (Sw), partition coefficient (Kd)) for DNAN and its products were investigated. Reduction of DNAN with either zero valent iron or bacteria regioselectively produced 2-amino-4-nitroanisole (2-ANAN) which, under strict anaerobic conditions, gave 2,4-diaminoanisole (DAAN). Hydrolysis under environmental conditions was insignificant whereas photolysis gave photodegradable intermediates 2-hydroxy-4-nitroanisole and 2,4-dinitrophenol. Physicochemical properties of DNAN and its amino products drastically depended on the type and position of substituent(s) on the aromatic ring. Sw followed the order (TNT < DNAN < 2-ANAN < 4-ANAN < DAAN) whereas logKow followed the order (DAAN < 4-ANAN < 2-ANAN < DNAN < TNT). In soil, successive replacement of ANO2 by ANH2 in DNAN enhanced irreversible sorption and reduced bioavailability under oxic conditions.
Following a previously published method (Monteil-Rivera et al, 2004) Solubility of 2,4-dinitroanisole is 0.213 g/L at 25°C, pH 5.5
Referenceopen allclose all
Description of key information
For this endpoint 2 different independent sources of data were provided Every information provided is relevant for this endpoint, even if the information from each single source alone could be judged insufficient, as these studies did not followed strictly established guidelines, under GLP conditions.
Despite, a strong consistency in the results presented in both studies used for this endpoint was noticed, leading to conclude that combined weight is substantial for allowing an expert judgement.
In fact, every studies presented for this endpoint, not following strictly established guidelines, but these studies all concluded on the same key value: solubility of the substance (i.e. 2,4 -dinitroanisole) is 0.2145 g/L (i.e. the mean of 0.213 and 0.216 g/L).
Key value for chemical safety assessment
- Water solubility:
- 0.214 g/L
- at the temperature of:
- 25 °C
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.