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EC number: 240-012-5 | CAS number: 15876-58-1
- 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 microorganisms
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to microorganisms
- 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 3.4 and QMRAF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Version / remarks:
- No data available
- Deviations:
- not specified
- Principles of method if other than guideline:
- Prediction was done using the OECD QSAR toolbox version 3.4.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
-Common Name: D & C Red no. 27
- Molecular formula: C20H4Br4Cl4O5
- Molecular weight : 785.6746 g/mol
- SMILES:Oc1c(Br)cc2c(c1Br)Oc1c(cc(Br)c(O)c1Br)C21c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O1
- Substance type: Organic
- Physical state: Solid - Analytical monitoring:
- not specified
- Details on sampling:
- No data available
- Vehicle:
- not specified
- Details on test solutions:
- No data available
- Test organisms (species):
- Tetrahymena pyriformis
- Details on inoculum:
- No data available
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Remarks on exposure duration:
- No data available
- Post exposure observation period:
- No data available
- Hardness:
- No data available
- Test temperature:
- 25°C
- pH:
- No data available
- Dissolved oxygen:
- Continuous supply of oxygen
- Salinity:
- No data available
- Conductivity:
- No data available
- Nominal and measured concentrations:
- No data available
- Details on test conditions:
- No data available
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 48 h
- Dose descriptor:
- other: IGC50
- Effect conc.:
- 9.062 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Growth
- Remarks on result:
- other: growth inhibition
- Details on results:
- No data available
- Results with reference substance (positive control):
- No data available
- Reported statistics and error estimates:
- No data available
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The IGC50 value was estimated to be 9.062mg/l when 2',4',5',7'-tetrabromo- 4,5,6 ,7-tetrachloro-3',6'-dihydroxy-3H -spiro[2-benzofuran-1,9 '-xanthen] -3-one was exposed to Tetrahymena pyriformis for 48 hours.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on microorganisms was predicted for 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3', 6'-dihydroxy -3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (15876-58-1). IGC50 value was estimated to be 9.062mg/l when 2',4',5',7'-tetrabromo- 4,5,6 ,7 -tetrachloro-3',6'-dihydroxy-3H-spiro [2-benzofuran-1,9' -xanthen]-3-one was exposed to Tetrahymena pyriformis for 48 hours.
Reference
The
prediction was based on dataset comprised from the following
descriptors: IGC50
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 (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and "k" )
and "l" )
and ("m"
and "n" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Phenolphthaleins by US-EPA New
Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Direct
Acylation Involving a Leaving group OR Acylation >> Direct Acylation
Involving a Leaving group >> Acetates OR SNAr OR SNAr >> Nucleophilic
aromatic substitution OR SNAr >> Nucleophilic aromatic substitution >>
Activated halo-benzenes by Protein binding by OECD ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as High reactive AND High reactive
>> Activated haloarenes by DPRA Cysteine peptide depletion
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Low reactive AND Low reactive >>
Activated haloarenes by DPRA Lysine peptide depletion
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.4
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition, quinoid structures OR AN2 >> Michael-type addition, quinoid
structures >> Quinones and Trihydroxybenzenes OR AN2 >> Shiff base
formation after aldehyde release OR AN2 >> Shiff base formation after
aldehyde release >> Specific Acetate Esters OR Non-covalent interaction
OR Non-covalent interaction >> DNA intercalation OR Non-covalent
interaction >> DNA intercalation >> Coumarins OR Non-covalent
interaction >> DNA intercalation >> Quinones and Trihydroxybenzenes OR
Radical OR Radical >> Radical mechanism via ROS formation (indirect) OR
Radical >> Radical mechanism via ROS formation (indirect) >> Coumarins
OR Radical >> Radical mechanism via ROS formation (indirect) >>
Nitroaniline Derivatives OR Radical >> Radical mechanism via ROS
formation (indirect) >> Nitroarenes with Other Active Groups OR Radical
>> Radical mechanism via ROS formation (indirect) >> Nitrophenols,
Nitrophenyl Ethers and Nitrobenzoic Acids OR Radical >> Radical
mechanism via ROS formation (indirect) >> Polynitroarenes OR Radical >>
Radical mechanism via ROS formation (indirect) >> Quinones and
Trihydroxybenzenes OR Radical >> Radical mechanism via ROS formation
(indirect) >> Single-Ring Substituted Primary Aromatic Amines OR SN1 OR
SN1 >> Nucleophilic attack after carbenium ion formation OR SN1 >>
Nucleophilic attack after carbenium ion formation >> Specific Acetate
Esters OR SN1 >> Nucleophilic attack after diazonium or carbenium ion
formation OR SN1 >> Nucleophilic attack after diazonium or carbenium ion
formation >> Nitroarenes with Other Active Groups OR SN1 >> Nucleophilic
attack after nitrenium ion formation OR SN1 >> Nucleophilic attack after
nitrenium ion formation >> Single-Ring Substituted Primary Aromatic
Amines OR SN1 >> Nucleophilic attack after reduction and nitrenium ion
formation OR SN1 >> Nucleophilic attack after reduction and nitrenium
ion formation >> Nitroaniline Derivatives OR SN1 >> Nucleophilic attack
after reduction and nitrenium ion formation >> Nitroarenes with Other
Active Groups OR SN1 >> Nucleophilic attack after reduction and
nitrenium ion formation >> Nitrophenols, Nitrophenyl Ethers and
Nitrobenzoic Acids OR SN1 >> Nucleophilic attack after reduction and
nitrenium ion formation >> Polynitroarenes OR SN2 OR SN2 >> Acylation OR
SN2 >> Acylation >> Specific Acetate Esters OR SN2 >> Direct acting
epoxides formed after metabolic activation OR SN2 >> Direct acting
epoxides formed after metabolic activation >> Coumarins OR SN2 >>
Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic
substitution at sp3 Carbon atom >> Specific Acetate Esters OR SN2 >> SN2
attack on activated carbon Csp3 or Csp2 OR SN2 >> SN2 attack on
activated carbon Csp3 or Csp2 >> Nitroarenes with Other Active Groups by
DNA binding by OASIS v.1.4
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 16
- Oxygen O AND Group 17 - Halogens Br AND Group 17 - Halogens Cl AND
Group 17 - Halogens F,Cl,Br,I,At by Chemical elements
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Group 15 - Nitrogen N OR Group
17 - Halogens F by Chemical elements
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Aromatic perhalogencarbons AND
Aryl AND Aryl halide AND Fused carbocyclic aromatic AND Fused saturated
heterocycles AND Heterocyclic spiro rings AND Isobenzofuran AND Lactone
AND Phenol AND Xanthene by Organic Functional groups
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Alkoxy OR Alkyl arenes OR
Carboxylic acid ester OR Ether by Organic Functional groups
Domain
logical expression index: "k"
Similarity
boundary:Target:
Oc1c(Br)cc2c(c1Br)Oc1c(cc(Br)c(O)c1Br)C21c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O1
Threshold=10%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "l"
Similarity
boundary:Target:
Oc1c(Br)cc2c(c1Br)Oc1c(cc(Br)c(O)c1Br)C21c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O1
Threshold=50%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of log BCF max which is >= 2.58
log(L/kg wet)
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of log BCF max which is <= 3.41
log(L/kg wet)
Description of key information
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on microorganisms was predicted for 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6' -dihydroxy -3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (15876-58-1). IGC50 value was estimated to be 9.062mg/l when 2',4',5',7'-tetrabromo-4,5, 6,7 -tetrachloro-3',6'-dihydroxy-3H- spiro[2-benzofuran- 1,9'- xanthen]-3-one was exposed to Tetrahymena pyriformis for 48 hours.
Key value for chemical safety assessment
Additional information
Based on the data for the terget chemical 2',4',5',7'-tetrabromo-4,5, 6,7 -tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one, study have been reviewed to determine the toxic nature of chemical (15876-58-1) on the growth of microorganisms.
In the first weight of evidence study for 2',4',5',7'-tetrabromo-4,5, 6,7 -tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one, QSAR 2017,Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on microorganisms was predicted for 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6' -dihydroxy-3H-spiro [2-benzofuran- 1,9'-xanthen]-3-one (15876-58-1). IGC50 value was estimated to be 9.062mg/l when 2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy -3H- spiro [2-benzofuran-1,9'-xanthen]-3-one was exposed to Tetrahymena pyriformis for 48 hours.
In the second weight of evidence study for RA chemical rose bengal (632 -68 -8),The main objective of the study to evaluate the toxic effect of food dyeRose Bengal Paramecium caudatum. The effect of food dye on leucinea minopeptidase,acid phosphatise and y-glutamyl transpeptidasea ctivity in P. caudatum was also studied in order to investigate the mechanism of toxicity. In mean survival study test organism measures microscopically for 20 min. The concentration of test material in the bathing fluid was 0.1 or 1 .0%. The mean survival time of PC in 0.1% concentration varied with the chemical structure of the dye. Xanthene dye rose Bengal containing halogen atoms in their molecules showed smaller survival times,and thus these dyes were considered to be more toxic than other groups of dyes.The death rate of PC in 0.1% solution of these dyes was 100%. While in enzyme inhibition study test substance i.e Rose bengal inhibited LAP activity almost completely. The experimental results suggest that xanthene dye such as rose Bengal is most toxic to Paramecium caudatum when observed for 20 min at dose concentration of 0.1 %, the EC100 was 1000mg/l (0.1%) and MIC was 0.0095 mg/l on the basis of Mean Survival and enzyme inhibition effects. Thus overall experimental observation suggest that the test substance Rose Bengal (Cas no.632-68-8) is toxic to micro-organism i.e Paramecium caudatum.
In the another weight of evidence study by considering RA chemical (6441 -77 -6) phloxin,The main objective of the study to evaluate the toxic effect of food dye phloxin to Paramecium caudatum. The effect of food dye on leucinea minopeptidase,acid phosphatise and y-glutamyl transpeptidasea ctivity in P. caudatum was also studied in order to investigate the mechanism of toxicity. In mean survival study test organism measures microscopically for 20 min. The concentration of test material in the bathing fluid was 0.1 or 1 .0%. The mean survival time of PC in 0.1% concentration varied with the chemical structure of the dye. Xanthene dye phloxin containing halogen atoms in their molecules showed smaller survival times,and thus these dyes were considered to be more toxic than other groups of dyes.The death rate of PC in 0.1% solution of these dyes was 100%. While in enzyme inhibition study test substance i.e phloxinl inhibited LAP, AP and y-Glutamyl transpeptidase activity almost completely. The experimental results suggest that xanthene dye such as phloxin is most toxic to Paramecium caudatum when observed for 20 min at dose concentration of 0.1 %, the EC100 was 1000mg/l (0.1%) and MIC was 0.126 mg/l on the basis of Mean Survival and enzyme inhibition effects. Thus overall experimental observation suggest that the test substance phloxin is toxic to micro-organism i.e Paramecium caudatum. Thus overall experimental observation suggest that the test substance is toxic to micro-organism i.e Paramecium caudatum.
Based on the data for the terget chemical 2',4',5',7'-tetrabromo-4,5, 6,7 -tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one, it was concluded thet the chemical was toxic to the growth of microorganisms.
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