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EC number: 210-578-8 | CAS number: 619-08-9
- 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
Toxicity to aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- 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:
- Data is from OECD QSAR toolbox version 3.3 and the 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:
- - IUPAC Name: 2-chloro-4-nitrophenol
- Common Name: Nitrofungin
- Mol. formula: C6H4ClNO3
- Molecular Weight: 173.555 g/mol
- Smiles: c1(cc(c(O)cc1)Cl)[N+](=O)[O-]
- InChI: 1S/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H
- Substance type: Organic
- Physical state: Solid - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Raphidocelis subcapitata (previous names: Pseudokirchneriella subcapitata, Selenastrum capricornutum)
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 72 h
- Test temperature:
- 21 ± 1 ºC
- pH:
- 7.9 ± 0.2
- Nominal and measured concentrations:
- Estimated data
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 188.292 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Population
- Remarks on result:
- other: Growth inhibition
- Validity criteria fulfilled:
- not specified
- Conclusions:
- EC50 value was estimated to be 188.292 mg/l for Species Pseudokirchneriella subcapitata for 72 hrs duration when exposed to 2-chloro-4-nitrophenol (619-08-9).
- 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 six closest read across substances, the toxicity on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) was predicted for Target substance 2-chloro-4-nitrophenol (619-08-9). EC50 value was estimated to be 188.292 mg/l for Species Pseudokirchneriella subcapitata for 72 hrs duration when exposed to 2-chloro-4-nitrophenol (619-08-9).
Based on this value it can be concluded that the substance2-chloro-4-nitrophenolis considered as nontoxic to aquatic environment 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 6 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((((((((("a"
or "b" or "c" or "d" or "e" or "f" )
and "g" )
and "h" )
and "i" )
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and ("n"
and (
not "o")
)
)
and ("p"
and (
not "q")
)
)
and ("r"
and (
not "s")
)
)
and ("t"
and (
not "u")
)
)
and ("v"
and (
not "w")
)
)
and ("x"
and (
not "y")
)
)
and ("z"
and (
not "aa")
)
)
and "ab" )
and ("ac"
and (
not "ad")
)
)
and ("ae"
and (
not "af")
)
)
and ("ag"
and "ah" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Phenols (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Radical AND Radical >> Radical
mechanism via ROS formation (indirect) AND Radical >> Radical mechanism
via ROS formation (indirect) >> Nitroarenes with Other Active Groups AND
Radical >> Radical mechanism via ROS formation (indirect) >>
Nitrophenols, Nitrophenyl Ethers and Nitrobenzoic Acids AND SN1 AND SN1
>> Nucleophilic attack after diazonium or carbenium ion formation AND
SN1 >> Nucleophilic attack after diazonium or carbenium ion formation >>
Nitroarenes with Other Active Groups AND SN1 >> Nucleophilic attack
after reduction and nitrenium ion formation AND SN1 >> Nucleophilic
attack after reduction and nitrenium ion formation >> Nitroarenes with
Other Active Groups AND SN1 >> Nucleophilic attack after reduction and
nitrenium ion formation >> Nitrophenols, Nitrophenyl Ethers and
Nitrobenzoic Acids AND SN2 AND SN2 >> SN2 attack on activated carbon
Csp3 or Csp2 AND SN2 >> SN2 attack on activated carbon Csp3 or Csp2 >>
Nitroarenes with Other Active Groups by DNA binding by OASIS v.1.3
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as SN1 AND SN1 >> Nitrenium Ion
formation AND SN1 >> Nitrenium Ion formation >> Aromatic nitro by DNA
binding by OECD
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Moderate binder, OH grooup by
Estrogen Receptor Binding
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Phenols and Anilines by Acute
aquatic toxicity MOA by OASIS
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Phenols by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Class 3 (unspecific reactivity)
by Acute aquatic toxicity classification by Verhaar (Modified) ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Phenols and Anilines by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Phenols and Anilines by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Phenols by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Anilines (Hindered) by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Phenols by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Benzyl Alcohols by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Aromatic alcohol [-OH] AND
Aromatic chloride [-CL] AND Aromatic nitro [-NO2] AND Aromatic-H AND
Benzene by Bioaccumulation - metabolism alerts
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Biphenyl OR -C=CH [alkenyl
hydrogen] by Bioaccumulation - metabolism alerts
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Aromatic alcohol [-OH] AND
Aromatic chloride [-CL] AND Aromatic nitro [-NO2] AND Aromatic-H AND
Benzene by Bioaccumulation - metabolism alerts
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as -CH2- [cyclic] OR -CH2-
[linear] OR Four or more fused cyclic rings by Bioaccumulation -
metabolism alerts
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Aromatic alcohol [-OH] AND
Aromatic chloride [-CL] AND Aromatic nitro [-NO2] AND Aromatic-H AND
Benzene by Bioaccumulation - metabolism alerts
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Aromatic-CH3 by Bioaccumulation
- metabolism alerts
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Aromatic alcohol [-OH] AND
Aromatic chloride [-CL] AND Aromatic nitro [-NO2] AND Aromatic-H AND
Benzene by Bioaccumulation - metabolism alerts
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Aromatic ether [-O-aromatic
carbon] by Bioaccumulation - metabolism alerts
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Nitro-aromatic (Genotox) AND
Structural alert for genotoxic carcinogenicity by Carcinogenicity
(genotox and nongenotox) alerts by ISS
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Pentachloro phenol (Nongenotox)
by Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Not known precedent reproductive
and developmental toxic potential by DART scheme v.1.0
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as NO2-alkyl/NO2-benzene
derivatives (8b) by DART scheme v.1.0
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Not known precedent reproductive
and developmental toxic potential by DART scheme v.1.0
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as Polyhalogenated benzene
derivatives (8c) by DART scheme v.1.0
Domain
logical expression index: "ab"
Similarity
boundary:Target:
Oc1ccc(N(=O)=O)cc1Cl
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "ac"
Referential
boundary: The
target chemical should be classified as Nitrophenols/ Halophenols
(Energy metabolism dysfuntion) Rank B by Repeated dose (HESS)
Domain
logical expression index: "ad"
Referential
boundary: The
target chemical should be classified as Chlorphentermine
(Hepatotoxicity) Alert by Repeated dose (HESS)
Domain
logical expression index: "ae"
Referential
boundary: The
target chemical should be classified as Moderate binder, OH grooup by
Estrogen Receptor Binding
Domain
logical expression index: "af"
Referential
boundary: The
target chemical should be classified as Weak binder, OH group by
Estrogen Receptor Binding
Domain
logical expression index: "ag"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.968
Domain
logical expression index: "ah"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 2.75
Description of key information
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, the toxicity on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) was predicted for Target substance 2-chloro-4-nitrophenol (619-08-9). EC50 value was estimated to be 188.292 mg/l for Species Pseudokirchneriella subcapitata for 72 hrs duration when exposed to 2-chloro-4-nitrophenol (619-08-9).
Based on this value it can be concluded that the substance2-chloro-4-nitrophenolis considered as nontoxic to aquatic environment as per the criteria mentioned in CLP regulation.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 188.292 mg/L
Additional information
Based on the various experimental data and prediction data for the target chemical as well as RA chemical which was selected on the basis of structure similarity study have been reviewed to determine the toxic nature of 2-chloro-4-nitrophenol (619-08-9 on the growth of algae. The studies are as mentioned below:
In the first predicted weight of evidence report for the 2-chloro-4-nitrophenol (619-08-9) from SSS (QSAR, 2017) toxicity study was carried out. Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, the toxicity on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) was predicted for Target substance 2-chloro-4-nitrophenol (619-08-9). EC50 value was estimated to be 188.292 mg/l for Species Pseudokirchneriella subcapitata for 72 hrs duration when exposed to 2-chloro-4-nitrophenol (619-08-9). Based on this value it can be concluded that the substance2-chloro-4-nitrophenolis considered as nontoxic to aquatic environment as per the criteria mentioned in CLP regulation.
Similarly in the second weight of evidence study for the read across chemical 3 – Nitrobenzene sulfonic acid (127-68-4) (from ABITEC lab, 2016) Freshwater algal growth inhibition test was carried out on Desmodesmus subspicatus with the substance 3 – Nitrobenzene sulfonic acid according to OECD Guideline 201. The test substance was dissolved in OECD growth medium and tested at the limit concentration 100 mg/L. Effects on the growth rate of the organism were studied. The NOEC for the test substance, 3 – Nitrobenzene sulfonic acid, sodium salt, in Desmodesmus subspicatus was determined to be 100 mg/L on the basis of effects on growth rate in a 72 hour study. This value indicates that the substance is likely to be non-hazardous to aquatic algae and cannot be classified as toxic as per the CLP criteria.
Similarly in the third weight of evidence study for the read across chemical Aminobenzene (62-53-3) j-check, 2017. Determination of short-term toxicity of chemical Aminobenzene on aquatic green algae. Test was performed in the static system. After the exposure of chemical effect concentration was measured at which 50% growth inhibited by chemical. Based on the growth inhibition of green algae, the EC50 was 110 mg/l and the NOEC was 3.7 mg/l. based on the biomass and area under the growth curve, the EC50 was 41 mg/l and the NOEC was 11 mg/l. Thus based on the EC50 (110 mg/l) chemical Aminobenzene (Aniline) consider as nontoxic and cannot be classified as per the CLP classification criteria.
Thus based on the above data sources for target chemical 2-chloro-4-nitrophenol (619-08-9) from various experimental studies and predicted studies from QSAR, ABITEC report, and j-check it was summarized that the chemical was nontoxic to aquatic algae and can be consider to be not classified as toxic as per the CLP classification criteria.
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