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EC number: 245-821-7 | CAS number: 23680-84-4
- 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 oral toxicity:
LD50 was estimated to be 958 mg/kg bw when male and female Wistar rats were treated with 2-Chloro-6, 7-dimethoxyquinazolin-4-amine by oral gavage route.
Acute Dermal toxicity:
LD50 was estimated to be 3652 mg/kg bw when New Zealand White male rabbits were treated with 2-Chloro-6, 7-dimethoxyquinazolin-4-amine by dermal application occlusively for 24 h.
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 3.4 and the supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.4
- GLP compliance:
- not specified
- Test type:
- other: not specified
- Limit test:
- no
- Specific details on test material used for the study:
- - IUPAC Name: 2-Chloro-6,7-dimethoxyquinazolin-4-amine
- Mol. formula: C10H10ClN3O2
- Molecular Weight: 239.661 g/mole
- Smiles: n1c(c2cc(OC)c(cc2nc1Cl)OC)N
- InChI: 1S/C10H10ClN3O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(11)14-9(5)12/h3-4H,1-2H3,(H2,12,13,14) - Species:
- rat
- Strain:
- Wistar
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- not specified
- Route of administration:
- oral: gavage
- Vehicle:
- not specified
- Details on oral exposure:
- not specified
- Doses:
- 958 mg/kg
- No. of animals per sex per dose:
- not specified
- Control animals:
- not specified
- Details on study design:
- not specified
- Statistics:
- not specified
- Preliminary study:
- not specified
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 958 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: 50% mortality was observed
- Mortality:
- not specified
- Clinical signs:
- other: not specified
- Gross pathology:
- not specified
- Other findings:
- not specified
- Interpretation of results:
- Category 4 based on GHS criteria
- Conclusions:
- LD50 was estimated to be 958 mg/kg bw when male and female Wistar rats were treated with 2-Chloro-6,7-dimethoxyquinazolin-4-amine by oral gavage route.
- 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 2-Chloro-6,7-dimethoxyquinazolin-4-amine (23680 -84 -4). The LD50 was estimated to be 958 mg/kg bw when male and female Wistar rats were treated with 2-Chloro-6,7-dimethoxyquinazolin-4-amine by oral gavage route.
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 (
not "f")
)
)
and ("g"
and (
not "h")
)
)
and ("i"
and "j" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Non-covalent interaction AND
Non-covalent interaction >> DNA intercalation AND Non-covalent
interaction >> DNA intercalation >> Fused-Ring Primary Aromatic Amines
AND Radical AND Radical >> Radical mechanism via ROS formation
(indirect) AND Radical >> Radical mechanism via ROS formation (indirect)
>> Fused-Ring Primary Aromatic Amines AND SN1 AND SN1 >> Nucleophilic
attack after metabolic nitrenium ion formation AND SN1 >> Nucleophilic
attack after metabolic nitrenium ion formation >> Fused-Ring Primary
Aromatic Amines by DNA binding by OASIS v.1.4
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as AN2 AND AN2 >> Nucleophilic
addition to pyridonimine tautomer of aminopyridoindoles or
aminopyridoimidazoles (hypothesized) AND AN2 >> Nucleophilic addition to
pyridonimine tautomer of aminopyridoindoles or aminopyridoimidazoles
(hypothesized) >> Heterocyclic Aromatic Amines AND Radical reactions AND
Radical reactions >> ROS generation and direct attack of hydroxyl
radical to the C8 position of nucleoside base AND Radical reactions >>
ROS generation and direct attack of hydroxyl radical to the C8 position
of nucleoside base >> Heterocyclic Aromatic Amines AND SE reaction
(CYP450-activated heterocyclic amines) AND SE reaction (CYP450-activated
heterocyclic amines) >> Direct attack of arylnitrenium cation to the C8
position of nucleoside base AND SE reaction (CYP450-activated
heterocyclic amines) >> Direct attack of arylnitrenium cation to the C8
position of nucleoside base >> Heterocyclic Aromatic Amines AND SNAr
AND SNAr >> Nucleophilic aromatic substitution on activated aryl and
heteroaryl compounds AND SNAr >> Nucleophilic aromatic substitution on
activated aryl and heteroaryl compounds >> Activated aryl and heteroaryl
compounds AND SR reaction (peroxidase-activated heterocyclic amines) AND
SR reaction (peroxidase-activated heterocyclic amines) >> Direct attack
of arylnitrenium radical to the C8 position of nucleoside base AND SR
reaction (peroxidase-activated heterocyclic amines) >> Direct attack of
arylnitrenium radical to the C8 position of nucleoside base >>
Heterocyclic Aromatic Amines by Protein binding by OASIS v1.4
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as SNAr AND SNAr >> Nucleophilic
aromatic substitution AND SNAr >> Nucleophilic aromatic substitution >>
Halo-pyrimidines by Protein binding by OECD
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Anilines (Unhindered) by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Non-covalent interaction AND
Non-covalent interaction >> DNA intercalation AND Non-covalent
interaction >> DNA intercalation >> Fused-Ring Primary Aromatic Amines
AND Radical AND Radical >> Radical mechanism via ROS formation
(indirect) AND Radical >> Radical mechanism via ROS formation (indirect)
>> Fused-Ring Primary Aromatic Amines AND SN1 AND SN1 >> Nucleophilic
attack after metabolic nitrenium ion formation AND SN1 >> Nucleophilic
attack after metabolic nitrenium ion formation >> Fused-Ring Primary
Aromatic Amines 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 >> Schiff base
formation OR AN2 >> Schiff base formation >> Polarized Haloalkene
Derivatives OR AN2 >> Schiff base formation by aldehyde formed after
metabolic activation OR AN2 >> Schiff base formation by aldehyde formed
after metabolic activation >> Geminal Polyhaloalkane Derivatives OR AN2
>> Shiff base formation after aldehyde release OR AN2 >> Shiff base
formation after aldehyde release >> Specific Acetate Esters OR AN2 >>
Thioacylation via nucleophilic addition after cysteine-mediated
thioketene formation OR AN2 >> Thioacylation via nucleophilic addition
after cysteine-mediated thioketene formation >> Haloalkenes with
Electron-Withdrawing Groups OR AN2 >> Thioacylation via nucleophilic
addition after cysteine-mediated thioketene formation >> Polarized
Haloalkene Derivatives OR No alert found OR Non-covalent interaction >>
DNA intercalation >> DNA Intercalators with Carboxamide and
Aminoalkylamine Side Chain OR Radical >> Radical mechanism via ROS
formation (indirect) >> Diazenes and Azoxyalkanes OR Radical >> Radical
mechanism via ROS formation (indirect) >> Geminal Polyhaloalkane
Derivatives 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) >> p-Aminobiphenyl Analogs OR
Radical >> Radical mechanism via ROS formation (indirect) >> Single-Ring
Substituted Primary Aromatic Amines OR SN1 >> Carbenium ion formation OR
SN1 >> Carbenium ion formation >> Alpha-Haloethers OR SN1 >> Direct
nucleophilic attack on diazonium cation (DNA alkylation) OR SN1 >>
Direct nucleophilic attack on diazonium cation (DNA alkylation) >>
Diazenes and Azoxyalkanes 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 >>
p-Aminobiphenyl Analogs 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
SN2 OR SN2 >> Acylation OR SN2 >> Acylation >> Specific Acetate Esters
OR SN2 >> Acylation involving a leaving group after metabolic activation
OR SN2 >> Acylation involving a leaving group after metabolic activation
>> Geminal Polyhaloalkane Derivatives OR SN2 >> Alkylation OR SN2 >>
Alkylation >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates
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 >>
Haloalkenes with Electron-Withdrawing Groups OR SN2 >> Alkylation,
direct acting epoxides and related after P450-mediated metabolic
activation >> Polarized Haloalkene Derivatives OR SN2 >> Nucleophilic
substitution at sp3 Carbon atom OR SN2 >> Nucleophilic substitution at
sp3 Carbon atom >> Specific Acetate Esters OR SN2 >> Nucleophilic
substitution at sp3 carbon atom after thiol (glutathione) conjugation OR
SN2 >> Nucleophilic substitution at sp3 carbon atom after thiol
(glutathione) conjugation >> Geminal Polyhaloalkane Derivatives OR SN2
>> SN2 at sp3 and activated sp2 carbon atom OR SN2 >> SN2 at sp3 and
activated sp2 carbon atom >> Polarized Haloalkene Derivatives OR SN2 >>
SN2 at sp3-carbon atom OR SN2 >> SN2 at sp3-carbon atom >>
Alpha-Haloethers 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 Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Benzene/ Naphthalene sulfonic
acids (Less susceptible) Rank C by Repeated dose (HESS)
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -0.124
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.85
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 958 mg/kg bw
- Quality of whole database:
- Data is Klimisch 2 and from QSAR Toolbox 3.4
Acute toxicity: via inhalation route
Endpoint conclusion
- Endpoint conclusion:
- no study available
Acute toxicity: via dermal route
Link to relevant study records
- Endpoint:
- acute toxicity: dermal
- 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 3.4 and the supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.4
- GLP compliance:
- not specified
- Test type:
- other: not specified
- Limit test:
- no
- Specific details on test material used for the study:
- - IUPAC Name: 2-Chloro-6,7-dimethoxyquinazolin-4-amine
- Mol. formula: C10H10ClN3O2
- Molecular Weight: 239.661 g/mole
- Smiles: n1c(c2cc(OC)c(cc2nc1Cl)OC)N
- InChI: 1S/C10H10ClN3O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(11)14-9(5)12/h3-4H,1-2H3,(H2,12,13,14) - Species:
- rabbit
- Strain:
- New Zealand White
- Sex:
- male
- Details on test animals or test system and environmental conditions:
- not specified
- Type of coverage:
- occlusive
- Vehicle:
- not specified
- Details on dermal exposure:
- not specified
- Duration of exposure:
- 24 h
- Doses:
- 3652 mg/kg
- No. of animals per sex per dose:
- not specified
- Control animals:
- not specified
- Details on study design:
- not specified
- Statistics:
- not specified
- Preliminary study:
- not specified
- Sex:
- male
- Dose descriptor:
- LD50
- Effect level:
- 3 652 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: 50% mortality was observed
- Mortality:
- not specified
- Clinical signs:
- other: not specified
- Gross pathology:
- not specified
- Other findings:
- not specified
- Interpretation of results:
- Category 5 based on GHS criteria
- Remarks:
- Migrated information
- Conclusions:
- LD50 was estimated to be 3652 mg/kg bw when New Zealand White male rabbits were treated with 2-Chloro-6,7-dimethoxyquinazolin-4-amine by dermal application occlusively for 24 h.
- Executive summary:
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute dermal toxicity was estimated for 2-Chloro-6,7-dimethoxyquinazolin-4-amine ( 23680-84-4). The LD50 was estimated to be 3652 mg/kg bw when New Zealand White male rabbits were treated with 2-Chloro-6,7-dimethoxyquinazolin-4-amine by dermal application occlusively for 24 h.
Reference
The
prediction was based on dataset comprised from the following
descriptors: LD50
Estimation method: Takes average value from the 6 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 ("i"
and "j" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Non-covalent interaction AND
Non-covalent interaction >> DNA intercalation AND Non-covalent
interaction >> DNA intercalation >> Fused-Ring Primary Aromatic Amines
AND Radical AND Radical >> Radical mechanism via ROS formation
(indirect) AND Radical >> Radical mechanism via ROS formation (indirect)
>> Fused-Ring Primary Aromatic Amines AND SN1 AND SN1 >> Nucleophilic
attack after metabolic nitrenium ion formation AND SN1 >> Nucleophilic
attack after metabolic nitrenium ion formation >> Fused-Ring Primary
Aromatic Amines by DNA binding by OASIS v.1.4
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as AN2 AND AN2 >> Nucleophilic
addition to pyridonimine tautomer of aminopyridoindoles or
aminopyridoimidazoles (hypothesized) AND AN2 >> Nucleophilic addition to
pyridonimine tautomer of aminopyridoindoles or aminopyridoimidazoles
(hypothesized) >> Heterocyclic Aromatic Amines AND Radical reactions AND
Radical reactions >> ROS generation and direct attack of hydroxyl
radical to the C8 position of nucleoside base AND Radical reactions >>
ROS generation and direct attack of hydroxyl radical to the C8 position
of nucleoside base >> Heterocyclic Aromatic Amines AND SE reaction
(CYP450-activated heterocyclic amines) AND SE reaction (CYP450-activated
heterocyclic amines) >> Direct attack of arylnitrenium cation to the C8
position of nucleoside base AND SE reaction (CYP450-activated
heterocyclic amines) >> Direct attack of arylnitrenium cation to the C8
position of nucleoside base >> Heterocyclic Aromatic Amines AND SNAr
AND SNAr >> Nucleophilic aromatic substitution on activated aryl and
heteroaryl compounds AND SNAr >> Nucleophilic aromatic substitution on
activated aryl and heteroaryl compounds >> Activated aryl and heteroaryl
compounds AND SR reaction (peroxidase-activated heterocyclic amines) AND
SR reaction (peroxidase-activated heterocyclic amines) >> Direct attack
of arylnitrenium radical to the C8 position of nucleoside base AND SR
reaction (peroxidase-activated heterocyclic amines) >> Direct attack of
arylnitrenium radical to the C8 position of nucleoside base >>
Heterocyclic Aromatic Amines by Protein binding by OASIS v1.4
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as SNAr AND SNAr >> Nucleophilic
aromatic substitution AND SNAr >> Nucleophilic aromatic substitution >>
Halo-pyrimidines by Protein binding by OECD
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Anilines (Unhindered) by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "e"
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: "f"
Referential
boundary: The
target chemical should be classified as Known precedent reproductive and
developmental toxic potential OR NO2-alkyl/NO2-benzene derivatives (8b)
OR Non-steroid nucleus derived estrogen receptor (ER) and androgen
receptor (AR) OR Non-steroid nucleus derived estrogen receptor (ER) and
androgen receptor (AR) >> Other non-steroidal estrogen receptor (ER)
binding compounds (2b-2) OR Toluene and small alkyl toluene derivatives
(8a) by DART scheme v.1.0
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "h"
Similarity
boundary:Target:
COc1cc2c(cc1OC)c(N)nc(Cl)n2
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.239
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.72
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 3 652 mg/kg bw
- Quality of whole database:
- Data is Klimicsh 2 and from QSAR toolbox 3.4
Additional information
Acute oral toxicity:
In different studies, 2-chloro-6, 7-dimethoxyquinazolin-4-amine (CAS no 23680-84-4) has been investigated 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 rats for 2-chloro-6, 7-dimethoxyquinazolin-4-amine along with the study available on structurally similar read across substance Triamterene (CAS no 396-01-0) and Pyrido(2,3-d)pyrimidine-2,4-diamine, 6-((2,5-dimethoxyphenyl)methyl)-5-methyl- (CAS no 72732-56-0). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –
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 2-Chloro-6,7-dimethoxyquinazolin-4-amine (23680 -84 -4). The LD50 was estimated to be 958 mg/kg bw when male and female Wistar rats were treated with 2-Chloro-6,7-dimethoxyquinazolin-4-amine by oral gavage route.
The above study supported by U.S. Department of Health and Human Services (NTP Technical Report, 1993), for the structurally similar read across substanceTriamterene
(CAS no 396-01-0). Theacute oral toxicity study was conducted in rat at the concentration of 400 mg/kg bw by oral route. 50 % mortality observed in treated rats at 400 mg/kg bw. Therefore, LD50 was considered to be 400 mg/kg bw when rat were treated with Triamterene orally.
This is further supported by RTECS database (2017), for the structurally similar read across substancePyrido(2,3-d)pyrimidine-2,4-diamine, 6-((2,5-dimethoxyphenyl)methyl)-5-methyl- (CAS no 72732-56-0). The acute oral toxicity study was conducted in rats at the concentration of 1168 mg/kg bw by oral route. 50 % mortality observed in treated rats at 1168 mg/kg bw. Therefore, LD50 was considered to be 1168 mg/kg bw when rat were treated with Pyrido(2,3-d)pyrimidine-2,4-diamine, 6-((2,5-dimethoxyphenyl)methyl)-5-methyl- orally.
Thus, based on the above studies on 2-chloro-6, 7-dimethoxyquinazolin-4-amine (CAS no 23680-84-4) and it’s read across substances, it can be concluded that LD50 value is between 300 - 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 2-chloro-6, 7-dimethoxyquinazolin-4-amine can be classified as category IV of acute oral toxicity.
Acute Dermal toxicity:
In different studies, 2-chloro-6, 7-dimethoxyquinazolin-4-amine (CAS no 23680-84-4) has been investigated for acute dermal toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments in rodents, i.e. most commonly in rabbits and rats for 2-chloro-6, 7-dimethoxyquinazolin-4-amine along with the study available on structurally similar read across substance 4-Chloroaniline (106-47-8) and 4-chloro-2,5-dimethoxyaniline (6358-64-1). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute dermal toxicity was estimated for 2-Chloro-6,7-dimethoxyquinazolin-4-amine ( 23680-84-4). The LD50 was estimated to be 3652 mg/kg bw when New Zealand White male rabbits were treated with 2-Chloro-6, 7-dimethoxyquinazolin-4-amine by dermal application occlusively for 24 h.
This is further supported by U.S. National Library of Medicine, ChemIDplus (2017), for the structurally similar read across substance4-Chloroaniline (106-47-8). The acute dermal toxicity study was conducted in rats at the concentration of 3200 mg/kg bw. 50% mortality was observed at 3200 mg/kg bw. Therefore, LD50 was consider to be 3200 mg/kg bw, when rat was treated with 4-Chloroaniline by dermal application.
The above study supported by GESTIS SUBSTANCE Database (2017), for the structurally similar read across substance 4-chloro-2,5-dimethoxyaniline (6358-64-1).The acute dermal toxicity study was conducted according to OECD 402 in rats at the concentration of 2000 mg/kg bw. No mortality was observed at 2000 mg/kg bw. The animals did not reveal any signs of toxicity. In Gross pathology examination there was no visible organ damage among the animals macroscopically. Therefore, LD50 was consider to be >2000 mg/kg bw, when rat was treated with 4-chloro-2, 5-dimethoxyaniline by dermal application.
Thus, based on the above studies on 2-chloro-6, 7-dimethoxyquinazolin-4-amine (CAS no 23680-84-4) and it’s read across substances, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 2-chloro-6, 7-dimethoxyquinazolin-4-amine can be classified as category V of acute dermal toxicity.
Justification for classification or non-classification
Based on the above studies and prediction on 2-chloro-6, 7-dimethoxyquinazolin-4-amine (CAS no 23680-84-4) and it’s read across substances, it can be concluded that the LD50 value isbetween 300 - 2000 mg/kg bw for acute oral toxicity and greater than 2000 mg/kg bw for acute dermal toxicity. Thus, comparing these values with the criteria of CLP regulation, 2-chloro-6, 7-dimethoxyquinazolin-4-amine can be classified as category IV for acute oral toxicity and category V for acute dermal toxicity.
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