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Diss Factsheets
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EC number: 224-924-0 | CAS number: 4553-89-3
- 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:
- key study
- 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:
- The prediction is done using QSAR Toolbox version 3.3 and the supporting QMRF has been attached.
- Principles of method if other than guideline:
- The prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- no
- Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Daphnia magna
- 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:
- LC50
- Effect conc.:
- 145.223 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mortality
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The Lethal concentration (LC50) of the substance Disodium 4,4’-(2,4-dihydroxy-5- hydroxymethyl-1,3-phenylene bis-azo) di- (naphthalene-1-sulfonate) in Daphnia magna in a 48 hour study is estimated to be 145.22 mg/L.
- Executive summary:
Short term toxicity to aquatic invertebrates of Disodium 4,4’-(2,4-dihydroxy-5- hydroxymethyl-1,3-phenylene bis-azo) di- (naphthalene-1-sulfonate) is estimated using QSAR Toolbox version 3.3. The Lethal concentration (LC50) of the substance Disodium 4,4’-(2,4-dihydroxy-5- hydroxymethyl-1,3-phenylene bis-azo) di- (naphthalene-1-sulfonate) in Daphnia magna in a 48 hour study is estimated to be 145.22 mg/L. This value indicates that the substance is not likely to exhibit toxicity to aquatic invertebrates as per the CLP criteria.
Reference
The
prediction was based on dataset comprised from the following
descriptors: LC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((("a"
or "b" or "c" or "d" or "e" )
and ("f"
and (
not "g")
)
)
and ("h"
and (
not "i")
)
)
and ("j"
and "k" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Naphthalene sulfonic acids,
condensates by OECD HPV Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Non binder, MW>500 by Estrogen
Receptor Binding
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Benzyl Alcohols
AND Phenols, Poly AND Salt by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Alcohol, olefinic attach [-OH]
AND Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic
Nitrogen, one aromatic attach [-N] AND Aromatic Carbon [C] AND Azo
[-N=N-] AND Hydroxy, aliphatic attach [-OH] AND Hydroxy, aromatic attach
[-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon
[=CH- or =C<] AND Oxygen, one aromatic attach [-O-] AND Suflur {v+4} or
{v+6} AND Sulfonate, aromatic attach [-SO2-O] by Organic functional
groups (US EPA)
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as 1,2-Oxaza compounds [N-C-O-] OR
2,2-bis-(alkoxy)-1-alkanol [COC(C(OH))OC] OR 2,3,3-Trialkoxy alcohol
derivative [HOCC(-O-)C(-O-)(-O-)] OR Acetylenic Carbon [#C] OR Acid,
aliphatic attach [-COOH] OR Acid, aromatic attach [-COOH] OR Aldehyde,
aromatic attach [-CHO] OR Aliphatic Carbon [C] OR Aliphatic Carbon
[-CH3] OR Aliphatic Carbon, two phenyl attach [-C-] OR Aliphatic
Carbon, two phenyl attach [-CH2-] OR Aliphatic Nitrogen, two aromatic
attach [-N-] OR Aliphatic Oxygen, two aromatic attach [-O-] OR Aliphatic
Suflur, one aromatic attach [-S-] OR Aliphatic Sulfur, two aromatic
attach OR Alkenyl sufide [-S=C] OR Alpha Amino acid OR Alpha-diether
[C-O-C-O-C] OR Alpha-dithioether [C-S-C-S-C] OR Aluminium [Al] OR Amide,
aliphatic attach [-C(=O)N] OR Amide, aromatic attach [-C(=O)N] OR Amino
Triazine/Pyrazine/Pyrimidine OR Amino, aliphatic attach [-N<] OR Amino,
aliphatic attach [-NH-] OR Amino, aliphatic attach [-NH2] OR
Amino-carbonyl compound [NCC(=O)-C] OR Antimony [Sb] OR Aromatic
Nitrogen OR Aromatic Nitrogen, [N{v+5}] OR Aromatic Nitrogen,
five-member ring OR Aromatic Oxygen OR Aromatic Sulfur OR Arsenic [As]
OR Azomethine, aliphatic attach [-N=C] OR Benzene to CCN OR
Beta-dicarbonyl compound [C-CO-C-CO-C] OR Beta-oxyalkyl ester
[-OCC(-O-)C(=O)] OR Bis-Tin ether [Sn-O-Sn] OR Boron [B] OR Bromine,
aliphatic attach [-Br] OR Bromine, aromatic attach [-Br] OR Bromine,
olefinic attach [-Br] OR Cadmium [Cd] OR Calcium [Ca] OR Carbamate
[-OC(=O)N] OR Carbonate, aliphatic attach [-OC(=O)O-] OR Carbonyl oxime
ester [>C=N-O-CO-] OR Carbonyl oxime ester [CH=N-O-CO-] OR Carbonyl,
aliphatic attach [-C(=O)-] OR Carbonyl, olefinic attach [-C(=O)-] OR
Carbonyl, one aromatic attach [-C(=O)-] OR Carbonyloxime derivative
[C(=O)C=NO-] OR Carbothionic acid amide, aliphatic attach OR Chlorine,
aliphatic attach [-Cl] OR Chlorine, aromatic attach [-Cl] OR Chlorine,
olefinic attach [-Cl] OR Cyano, aliphatic attach [-C#N] OR Cyano,
aromatic attach [-C#N] OR Cyano, nitrogen attach [-C#N] OR Cyano, suflur
attach [-C#N] OR Cyclic dithiocarbamate [-NC(=S)S-] OR Cyclic ester OR
Cyclic esters, olefinic type OR Diarylketone OR Dihydroxycarbonyl
compound [HO-CC(OH)C(=O)-] OR Disulfide [-SS-] OR Dithiocarbamate,
linear [NC(=S)S] OR Diureide [C(=ONC(=O)NC(=O)] OR Ester, aliphatic
attach [-C(=O)O] OR Ester, aromatic attach [-C(=O)O] OR Ether-alcohols
[-OC(COH)CO-] OR Fluorine, aliphatic attach [-F] OR Fluorine, aromatic
attach [-F] OR Fluorine, olefinic attach [-F] OR Fused Aliphatic ring
unit OR Geminal bis-phosphoryl derivative [O=P-C-P=O] OR Geminal
dinitroamine [NO2-NCN-NO2] OR Geminal-N-thioalkyl alkanol [CN=CNC] OR
Glycerols [HOCHC(OH)CHOH] OR Halogen, nitrogen attach OR Hydrazine
[>N-N<] OR Hydrazo compound [-NH-NH-] OR Hydroxy, oxygen attach [-OH] OR
Hydroxy, phosphorus attach [-OH] OR Hydroxy, sulfur attach [-OH] OR
Iminoxy [alipahtic-C=N-O-aliphatic C] OR Iron [Fe] OR Ketone in a ring,
olefinic aromatic attach OR Lead [Pb] OR Magnesium [Mg] OR Mercury
[-Hg-] OR Miscellaneous metal [Ni, Cu, Zr, Be] OR Monohalo acetamide OR
Multi alcohol OR N-Alkyl arenoyl hydrazide [C{ar}C(=O)N(C{sp3})N] OR
N-carbonyl-alpha,beta-unsat. thioacyl amide [C(=O)NC(=S)-] OR
N-carbonylthiourea [NC(=S)NC(=O)] OR Nitrate, aliphatic attach [-ONO2]
OR Nitro, aromatic attach [-NO2] OR Nitro, nitrogen attach [-NO2] OR
Nitrogen {v+5}, nitrogen attach OR Nitrogen, hydrogen attach {v+5} OR
Nitrogen, phosphorus attach [-N-P] OR Nitrogen, single bonds [N{v+5}]
OR Nitrogen, two or tree olefinic attach [>N-] OR No functional group
found OR Olefinic carbon [=CH2] OR Ortho-alkoxy/thio, to one aromatic N
OR Ortho-hydroxy to misc. -CO- OR Oxygen or Sulfur, nitrogen attach
[-O- or -S-] OR Oxygen, aliphatic attach [-O-] OR Oxygen, nitrogen
attach [-O-] OR Oxygen, oxygen attach [-O-] OR Oxygen, two olefinic
attach [-O-] OR Oxygen, two phosphorus attach [P-O-P] OR Oxygen, two
silicon attach, linear [-O-] OR Phosphine oxide [O=P] OR Phosphine Type
[>P-] OR Phosphite, aliphatic attach [-O-P] OR Phosphite, aromatic
attach [-O-P] OR Phosphorus, halogen attach [P] OR Phosphorus, single
bonds [P] OR Poly alcohol Carbon [HO-C-OH] OR Pyridine, non fused
rings OR Selenium, aliphatic attach [-Se-] OR Silicon, aliphatic attach
[-Si-] OR Silicon, aromatic or oxygen attach [-Si-] OR Succinate salt OR
Sulfate, linear [-O-SO2-O-] OR Sulfinic acid [-S(=O)OH] OR Sulfite,
cyclic [-OS(=O)O-] OR Sulfite, linear [-OS(=O)O-] OR Sulfone, aliphatic
attach [-SO2-] OR Sulfone, aromatic attach [-SO2] OR Sulfone, two
aromatic attach [-SO2-] OR Sulfonic [SO2(-OH)-O] OR Sulfoxide, aliphatic
attach [-S(=O)-] OR Sulfoxide, aromatic attach [-S(=O)-] OR Sulfoxide,
two aromatic attach [-S(=O)-] OR Sulfur, aliphatic attach [-S-] OR
Sulfur, nitrogen attach [-S-] OR Sulfur, phosphorus attach [-S-] OR
Sulphonate, aliphatic attach [-SO2-O] OR Sym-Triazine ring OR Tertiary
Carbon OR Thiocarbamate [-S-C(=O)-N-] OR Thiocarbonyl, aliphatic attach
[-C(=S)-] OR Thiocarbonyl, olefinic attach [-C(=S)-] OR Thiol, aliphatic
attach [-SH] OR Thiol, aromatic attach [-SH] OR Thio-phosphorus [S=P] OR
Thiourea [-NC(=S)N-] OR Tin [Sn] OR Tin, halogen or OH attach [Sn] OR
Tin, oxigen and aromatic attach [Sn] OR Tin, oxigen attach [Sn] OR
Triazene [-N=N-N-] OR Urea [-OC(=O)N-] OR Ureide [NC(=O)NC(=O)] OR Zinc
[Zn] by Organic functional groups (US EPA)
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Alcohol AND Aryl AND Azo AND
Benzyl AND Fused carbocyclic aromatic AND Naphtalene AND Phenol AND
Sulfonic acid by Organic Functional groups
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Allyl OR Biphenyl OR Cycloalkane
OR Cycloalkene OR Dihydroxyl group OR Ether OR No functional group found
OR Phenanthrene by Organic Functional groups
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -0.224
Domain
logical expression index: "k"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.15
Description of key information
The Lethal concentration (LC50) of the substance Disodium 4,4’-(2,4-dihydroxy-5- hydroxymethyl-1,3-phenylene bis-azo) di- (naphthalene-1-sulfonate) in Daphnia magna in a 48 hour study is estimated to be 145.22 mg/L.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 145.22 mg/L
Additional information
Short term toxicity to aquatic invertebrates of Disodium 4,4’-(2,4-dihydroxy-5- hydroxymethyl-1,3-phenylene bis-azo) di- (naphthalene-1-sulfonate) was estimated using QSAR Toolbox version 3.3. The Lethal concentration (LC50) of the substance Disodium 4,4’-(2,4-dihydroxy-5- hydroxymethyl-1,3-phenylene bis-azo) di- (naphthalene-1-sulfonate) in Daphnia magna in a 48 hour study is estimated to be 145.22 mg/L. This value indicates that the substance is not likely to exhibit toxicity to aquatic invertebrates as per the CLP 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.