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EC number: 214-463-3 | CAS number: 1131-18-6
- 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
Endpoint summary
Administrative data
Description of key information
Acute toxicity: oral
The acute oral median lethal dose (LD50) of 3-methyl-1-phenylpyrazol-5-ylamine, when administered to rat was found to be 2500 mg/kg body weight.
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- 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 predicted using OECD QSAR toolbox version 3.3 and the supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimation
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Test type:
- standard acute method
- Limit test:
- no
- Specific details on test material used for the study:
- - Name of the test material: 5-Amino-3-methyl-1-phenyl-pyrazol
- IUPAC name: 3-methyl-1-phenylpyrazol-5-ylamine
- Molecular Formula: C10H11N3
- Molecular weight: 173.2179 g/mole
- Substance type: Organic - Species:
- rat
- Strain:
- Wistar
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- No data available
- Route of administration:
- oral: gavage
- Vehicle:
- CMC (carboxymethyl cellulose)
- Details on oral exposure:
- No data available
- Doses:
- 2012 mg/kg bw
- No. of animals per sex per dose:
- 5
- Control animals:
- no
- Details on study design:
- No data available
- Statistics:
- No data available
- Preliminary study:
- No data available
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 2 012 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: 50 % mortality observed
- Mortality:
- No data available
- Clinical signs:
- No data available
- Body weight:
- No data available
- Gross pathology:
- No data available
- Other findings:
- No data available
- Interpretation of results:
- other: not classified
- Conclusions:
- LD50 was estimated to be 2844 mg/kg bw for Wistar male and female rats.
- Executive summary:
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for 3-methyl-1-phenyl-1H-pyrazol-5-amine. The LD50 was estimated to be 2844 mg/kg bw for Wistar male and female rats.
Reference
The
prediction was based on dataset comprised from the following
descriptors: LD50
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 ("f"
and (
not "g")
)
)
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and "n" )
and "o" )
and ("p"
and (
not "q")
)
)
and "r" )
and ("s"
and (
not "t")
)
)
and ("u"
and (
not "v")
)
)
and ("w"
and "x" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, primary OR Aryl
OR Pyrazole by Organic Functional groups ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, primary OR Aryl
OR Overlapping groups OR Pyrazole by Organic Functional groups (nested)
ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as 1,1-Diaminoalkene derivative
[C=C(N)N] OR Aliphatic Carbon [CH] OR Aliphatic Carbon [-CH2-] OR
Aliphatic Carbon [-CH3] OR Aliphatic Nitrogen, one aromatic attach [-N]
OR Aromatic Carbon [C] OR Aromatic Nitrogen, five-member ring OR
Azomethine, aliphatic attach [-N=C] OR Hydrazine [>N-N<] OR Nitrogen,
two or tree olefinic attach [>N-] OR Olefinic carbon [=CH- or =C<] by
Organic functional groups (US EPA) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aromatic compound OR CO2
derivative (general) OR Heterocyclic compound by Organic functional
groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Alkali Earth OR Halogens OR
Metalloids OR Transition Metals by Groups of elements
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 15
- Nitrogen N by Chemical elements
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Group 15 - Phosphorus P OR Group
16 - Oxygen O OR Group 16 - Sulfur S by Chemical elements
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding alerts for skin sensitization by OASIS v1.3
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Michael Addition OR Michael
Addition >> Polarised Alkenes OR Michael Addition >> Polarised Alkenes
>> Polarised Alkene - alkenyl pyridines, pyrazines, pyrimidines or
triazines by Protein binding alerts for skin sensitization by OASIS v1.3
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding alerts for Chromosomal aberration by OASIS v1.1
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael addition
to the quinoid type structures OR AN2 >> Michael addition to the quinoid
type structures >> Substituted Anilines OR AN2 >> Nucleophilic addition
to pyridonimine tautomer of aminopyridoindoles or aminopyridoimidazoles
OR AN2 >> Nucleophilic addition to pyridonimine tautomer of
aminopyridoindoles or aminopyridoimidazoles >> Heterocyclic Aromatic
Amines OR Radical mechanism OR Radical mechanism >> ROS generation and
direct attack of hydroxyl radical to the C8 position of nucleoside base
OR Radical mechanism >> ROS generation and direct attack of hydroxyl
radical to the C8 position of nucleoside base >> Heterocyclic Aromatic
Amines OR SE reaction (CYP450-activated heterocyclic amines) OR SE
reaction (CYP450-activated heterocyclic amines) >> Direct attack of
arylnitrenium cation to the C8 position of nucleoside base OR SE
reaction (CYP450-activated heterocyclic amines) >> Direct attack of
arylnitrenium cation to the C8 position of nucleoside base >>
Heterocyclic Aromatic Amines OR SR reaction (peroxidase-activated
heterocyclic amines) OR SR reaction (peroxidase-activated heterocyclic
amines) >> Direct attack of arylnitrenium radical to the C8 position of
nucleoside base OR SR reaction (peroxidase-activated heterocyclic
amines) >> Direct attack of arylnitrenium radical to the C8 position of
nucleoside base >> Heterocyclic Aromatic Amines by Protein binding
alerts for Chromosomal aberration by OASIS v1.1
Domain
logical expression index: "n"
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: "o"
Referential
boundary: The
target chemical should be classified as High (Class III) by Toxic hazard
classification by Cramer (original) ONLY
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Not categorized by US-EPA New
Chemical Categories
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Aliphatic Amines OR
Benzotriazoles (Acute toxicity) OR Substituted Triazines (Acute
toxicity) by US-EPA New Chemical Categories
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3 ONLY
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as No Data by Ultimate biodeg
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as > 100 days OR 1 to 10 days OR 10
to 100 days by Ultimate biodeg
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as H-acceptor-path3-H-acceptor AND
Hydrazine AND Primary aromatic amine, hydroxyl amine and its derived
esters by in vivo mutagenicity (Micronucleus) alerts by ISS
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Heterocyclic Polycyclic Aromatic
Hydrocarbons OR No alert found OR Polycyclic Aromatic Hydrocarbons by in
vivo mutagenicity (Micronucleus) alerts by ISS
Domain
logical expression index: "w"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.959
Domain
logical expression index: "x"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.64
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 2 500 mg/kg bw
- Quality of whole database:
- Data is K4 level as the data has been obtained from the study report of ' LONZA Ltd.'
Acute toxicity: via inhalation route
Endpoint conclusion
- Endpoint conclusion:
- no study available
Acute toxicity: via dermal route
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Acute toxicity: oral
In different studies, 3-methyl-1-phenyl-1H-pyrazol-5-amine has been reviewed for acute oral toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments in rodents, i.e. most commonly in mice and rats for 3-methyl-1-phenyl-1H-pyrazol-5-amine. The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies.
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for 3-methyl-1-phenyl-1H-pyrazol-5-amine. The LD50 was estimated to be 2844 mg/kg bw for Wistar male and female rats.
In another study given by RTECS (Registry of Toxic Effects of Chemical Substances, 2012), rat were treated with 3-methyl-1-phenyl-1H-pyrazol-5-amine in the concentration of 2500 mg/kg bw orally. 50 % mortality was observed in treated rats at 2500 mg/kg bw. Changes in motor activity were observed. Therefore, LD50 was considered to be 2500 mg/kg bw when rat were treated with 3-methyl-1-phenyl-1H-pyrazol-5-amine orally.
Thus, based on the above studies and predictions on 3-methyl-1-phenyl-1H-pyrazol-5-amine, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 3-methyl-1-phenyl-1H-pyrazol-5-amine can be Not classified as acute oral toxicity.
Justification for classification or non-classification
Based on the above studies and predictions on 3-methyl-1-phenyl-1H-pyrazol-5-amine, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 3-methyl-1-phenyl-1H-pyrazol-5-amine can be not classified as acute oral toxicity.
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.
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