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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 240-299-7 | CAS number: 16143-80-9
- 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
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Principles of method if other than guideline:
- Prediction was done using the OECD QSAR toolbox version 3.3.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-)
- Molecular formula: C30H18FeN3O6.Na
- Molecular weight: 595.3222 g/mol
- Smiles notation: [Na+].[Fe+2].[O-]\N=C\1/C(=O)C=Cc2ccccc12.[O-]\N=C\3/C(=O)C=Cc4ccccc34.[O-]\N=C\5/C(=O)C=Cc6ccccc56
- InChI: 1S/3C10H7NO2.Fe.Na/c3*12-9-6-5-7-3-1-2-4-8(7)10(9)11-13;;/h3*1-6,13H;;/q;;;+2;+1/p-3/b3*11-10-;;
- Substance type: Organic
- Physical state: Solid - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Daphnia magna
- Details on test organisms:
- - Common name: Water flea
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 365.633 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- not specified
- Basis for effect:
- mobility
- Remarks on result:
- other: Nontoxic
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Based on the mobility of test organism the EC50 value was estimated to be 365.63 mg/l when Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (16143-80-9) exposed to daphnia magna for 48 hrs.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the nine closest read across substances, toxicity on daphnia magna was predicted Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (16143-80-9). Based on the mobility of test organism the EC50 value was estimated to be 365.63 mg/l when Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (16143-80-9) exposed to daphnia magna for 48 hrs. Based on this value it can be concluded that the substance Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (16143-80-9) is considered to be nontoxic to aquatic environment and cannot classified as per the criteria mentioned in CLP regulation.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((((((((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and "g" )
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and "l" )
and "m" )
and "n" )
and "o" )
and "p" )
and "q" )
and "r" )
and "s" )
and "t" )
and "u" )
and "v" )
and ("w"
and (
not "x")
)
)
and ("y"
and "z" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Anion OR Aromatic compound OR
Cation by Organic functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aromatic Carbon [C] OR Carbonyl,
olefinic attach [-C(=O)-] OR Carbonyloxime derivative [C(=O)C=NO-] OR
Iron [Fe] OR Ketone in a ring, olefinic aromatic attach OR Miscellaneous
sulfide (=S) or oxide (=O) OR Olefinic carbon [=CH- or =C<] OR Oxygen,
nitrogen attach [-O-] by Organic functional groups (US EPA) ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Diketone OR Fused carbocyclic
aromatic OR Ketoxime derivatives OR Overlapping groups OR Quinoid
compounds by Organic Functional groups (nested) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aryl OR Cycloketone OR Diketone
OR Fused carbocyclic aromatic OR Ketoxime derivatives OR Quinoid
compounds by Organic Functional groups ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Nucleophilic
addition to alpha, beta-unsaturated carbonyl compounds OR AN2 >>
Nucleophilic addition to alpha, beta-unsaturated carbonyl compounds >>
alpha, beta-Unsaturated Aldehydes OR AN2 >> Schiff base formation OR AN2
>> Schiff base formation >> alpha, beta-Unsaturated Aldehydes OR Michael
addition OR Michael addition >> Quinone type compounds OR Michael
addition >> Quinone type compounds >> Quinone methides OR Radical OR
Radical >> ROS formation after GSH depletion OR Radical >> ROS formation
after GSH depletion >> Quinone methides OR SN1 OR SN1 >> Alkylation
after metabolically formed carbenium ion species OR SN1 >> Alkylation
after metabolically formed carbenium ion species >> Polycyclic Aromatic
Hydrocarbon Derivatives OR SN2 OR SN2 >> Alkylation, direct acting
epoxides and related OR SN2 >> Alkylation, direct acting epoxides and
related >> Epoxides and Aziridines OR SN2 >> Alkylation, direct acting
epoxides and related after P450-mediated metabolic activation OR SN2 >>
Alkylation, direct acting epoxides and related after P450-mediated
metabolic activation >> Polycyclic Aromatic Hydrocarbon Derivatives OR
SN2 >> Direct acting epoxides formed after metabolic activation OR SN2
>> Direct acting epoxides formed after metabolic activation >> Quinoline
Derivatives OR SN2 >> SN2 at an activated carbon atom OR SN2 >> SN2 at
an activated carbon atom >> Quinoline Derivatives by DNA binding by
OASIS v.1.3
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Class 5 (Not possible to
classify according to these rules) by Acute aquatic toxicity
classification by Verhaar (Modified) ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as SHOULD NOT BE PROFILED by
Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Inorganic Compound by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as SHOULD NOT BE PROFILED by
Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Not Related to an Existing
ECOSAR Class by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Aryl AND Cycloketone AND
Diketone AND Fused carbocyclic aromatic AND Ketoxime derivatives AND
Quinoid compounds by Organic Functional groups ONLY
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Aryl AND Cycloketone AND
Diketone AND Fused carbocyclic aromatic AND Ketoxime derivatives AND
Quinoid compounds by Organic Functional groups ONLY
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Diketone AND Fused carbocyclic
aromatic AND Ketoxime derivatives AND Overlapping groups AND Quinoid
compounds by Organic Functional groups (nested) ONLY
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Aromatic Carbon [C] AND
Carbonyl, olefinic attach [-C(=O)-] AND Carbonyloxime derivative
[C(=O)C=NO-] AND Iron [Fe] AND Ketone in a ring, olefinic aromatic
attach AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon
[=CH- or =C<] AND Oxygen, nitrogen attach [-O-] by Organic functional
groups (US EPA) ONLY
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Anion AND Aromatic compound AND
Cation by Organic functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Anion AND Aromatic compound AND
Cation by Organic functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Aromatic Carbon [C] AND
Carbonyl, olefinic attach [-C(=O)-] AND Carbonyloxime derivative
[C(=O)C=NO-] AND Iron [Fe] AND Ketone in a ring, olefinic aromatic
attach AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon
[=CH- or =C<] AND Oxygen, nitrogen attach [-O-] by Organic functional
groups (US EPA) ONLY
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Aromatic Carbon [C] AND
Carbonyl, olefinic attach [-C(=O)-] AND Carbonyloxime derivative
[C(=O)C=NO-] AND Iron [Fe] AND Ketone in a ring, olefinic aromatic
attach AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon
[=CH- or =C<] AND Oxygen, nitrogen attach [-O-] by Organic functional
groups (US EPA) ONLY
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Aromatic Carbon [C] AND
Carbonyl, olefinic attach [-C(=O)-] AND Carbonyloxime derivative
[C(=O)C=NO-] AND Iron [Fe] AND Ketone in a ring, olefinic aromatic
attach AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon
[=CH- or =C<] AND Oxygen, nitrogen attach [-O-] by Organic functional
groups (US EPA) ONLY
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Aromatic Carbon [C] AND
Carbonyl, olefinic attach [-C(=O)-] AND Carbonyloxime derivative
[C(=O)C=NO-] AND Iron [Fe] AND Ketone in a ring, olefinic aromatic
attach AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon
[=CH- or =C<] AND Oxygen, nitrogen attach [-O-] by Organic functional
groups (US EPA) ONLY
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as High (Class III) by Toxic hazard
classification by Cramer (with extensions) ONLY
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Acidic [90,100] AND Basic [0,10)
by Ionization at pH = 9
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Acidic [0,10) by Ionization at
pH = 9
Domain
logical expression index: "y"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 1.25
Domain
logical expression index: "z"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 9.4
Description of key information
Based on the prediction using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the nine closest read across substances, toxicity on daphnia magna was predicted Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (16143-80-9). Based on the mobility of test organism the EC50 value was estimated to be 365.63 mg/l when Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (16143-80-9) exposed to daphnia magna for 48 hrs. Based on this value it can be concluded that the substance Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (16143-80-9) is considered to be nontoxic to aquatic environment and cannot classified as per the criteria mentioned in CLP regulation.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 365.63 mg/L
Additional information
Based on the various predicted data for the target chemical and experimental data for structurally and functionally similar read across chemicals study have been reviewed to determine the toxic nature of target chemical Sodium tris(1,2-naphthoquinone 1-oximato-O,O') ferrate(1-) (16143-80-9) on the growth of aquatic invertebrates. The studies are as mentioned below:
In a prediction done by SSS (2018) using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the nine closest read across substances, toxicity on daphnia magna was predicted Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (16143-80-9). Based on the mobility of test organism the EC50 value was estimated to be 365.63 mg/l when Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (16143-80-9) exposed to daphnia magna for 48 hrs. Based on this value it can be concluded that the substance Sodium tris(1,2-naphthoquinone 1-oximato-O,O')ferrate(1-) (16143-80-9) is considered to be nontoxic to aquatic environment and cannot classified as per the criteria mentioned in CLP regulation.
First predicted study was supported by the second experimental supporting study for the structurally closest read across chemical (842-07-9) from lab report. Determination of the acute effect on the swimming ability of the Daphnia magna Straus was performed using OECD guideline 202. Limit test was conducted at 100 mg/l concentrations. The test substance was suspended in water. The daphnids were exposed to various concentrations of the test substance and compared to a control. Synthetic fresh water was used for culture and test purposes. M4 medium was used and aerated for approximately 24 h until saturation with oxygen is reached. Proper test conditions were maintained. No feeding during test was done. Measurement of temperature continuously during the whole test period in a separate vessel close the test vessels and measurement of pH and oxygen after 0h in an additional replicate without daphnids and after 48h in replicate 1 of each tested concentration were taken. The test substance was stirred in M4 medium for about 20 hours at 20 ± 2°C. Undissolved test substance was removed by filtration with a membrane filter. The test is fulfilled the validity criteria. From the experiment, it can be seen that, the EC 50 value for 1-phenylazo-2-naphthol (Sudan Orange 220) (CAS No.842-07-9) for daphnia magna was determined to be >100mg/l. Based on result, the 1-phenylazo-2-naphthol (Sudan Orange 220) (CAS No.842-07-9) was considered to be non toxic to aquatic invertebrates and considered to be not classified as per the CLP regulation.
Similarly by considering another read across chemical Phthalimide (1H-isoindole-1,3(2H)-dione) (85-41-6) authoritative database j-check 2018 study supports the nontoxic nature of chemical. Acute Immobilization test of 1H-isoindole-1,3(2H)-dione (Phthalimide), to Daphnia magna was studied for 48 hrs. Test conducted according to the OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test). Test conducted under the static system. The concentrations range from 3.7, 6.7, 12.0, 21.6, 38.9, 70.0 mg/L along with control. Number of organisms per vessel was 20 per concentration i.e 5 per vessel. 16 hours light and 8 hour dark was the applied photoperiod. Based on the immobility of daphnia magna by the chemical Phthalimide, the EC50 was determine to be 20.8 mg/l. Thus on the basis of EC50, chemical was consider as toxic and classified but as the chemical was readily biodegradable in water thus on that criteria chemical Phthalimide concluded as nontoxic and cannot classified as per the CLP classification criteria.
Based on the predicted data for the target chemical Sodium tris(1,2-naphthoquinone 1-oximato-O,O') ferrate(1-) (16143-80-9) and for the read across chemical from experimental lab report 2003 and authoritative database j-check 2018, it can be concluded that the Sodium tris(1,2-naphthoquinone 1-oximato-O,O') ferrate(1-) (16143-80-9) is considered to be nontoxic to aquatic environment (aquatic invertebrates) and cannot be classified as per the CLP classification criteria.
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.