Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 217-110-1 | CAS number: 1742-95-6
- 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
1h-benz[de]isoquinoline-1,3(2h)-dione, 6-amino- was non toxic by oral and dermal route.
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: Data is from database
- Qualifier:
- according to guideline
- Guideline:
- other: as below
- Principles of method if other than guideline:
- Acute oral toxicity of 1-HBenz( de)isoquinoline-1,3( 2H)-dione,6-amino- in rats
- GLP compliance:
- not specified
- Test type:
- other: No data
- Limit test:
- no
- Species:
- rat
- Strain:
- not specified
- Sex:
- not specified
- Details on test animals or test system and environmental conditions:
- No data available
- Route of administration:
- oral: unspecified
- Vehicle:
- not specified
- Details on oral exposure:
- No data available
- Doses:
- 10000 mg/kg/day
- No. of animals per sex per dose:
- No data available
- Control animals:
- not specified
- Details on study design:
- No data available
- Statistics:
- No data available
- Preliminary study:
- No data available
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- > 10 000 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: No mortality observed
- Mortality:
- No mortality observed in treated rats.
- Clinical signs:
- other: No data available
- Gross pathology:
- No data available
- Other findings:
- No data available
- Interpretation of results:
- not classified
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- LD50 was considered to be > 10000 mg/kg/day when rats were treated with 1-HBenz( de)isoquinoline-1,3( 2H)-dione,6-amino- orally.
- Executive summary:
In acute toxicity study rats were treated with 1-HBenz ( de)isoquinoline-1,3( 2H)-dione,6-amino- in the concentration of 10000 mg/kg/day. No effect on survival of treated rats were observed at 10000 mg/kg bw. Therefore,LD50 was considered to be> 10000 mg/kg/day when rats were treated with 1-HBenz( de)isoquinoline-1,3( 2H)-dione,6-amino- orally.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 10 000 mg/kg bw
- Quality of whole database:
- Data is from RTECS database
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:
- other: Data is from QSAR Toolbox 3.4.0.17 (2016
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 402 (Acute Dermal Toxicity)
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.4
- GLP compliance:
- not specified
- Test type:
- other: No data
- Limit test:
- no
- Species:
- rabbit
- Strain:
- New Zealand White
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- No data available
- Type of coverage:
- occlusive
- Vehicle:
- unchanged (no vehicle)
- Details on dermal exposure:
- No data available
- Duration of exposure:
24 hours- Doses:
- No data available
- No. of animals per sex per dose:
- 5 male, 5 female
- Control animals:
- not specified
- Details on study design:
- No data available
- Statistics:
- No data available
- Preliminary study:
- No data available
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 4 938 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: 50 % mortality
- Mortality:
- No data available
- Clinical signs:
- other: No data available
- Gross pathology:
- No data available
- Other findings:
- No data available
- Interpretation of results:
- not classified
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- Estimated LD50 was considered to be 4938 mg/kg bw when New Zealand White male and female rabbits by using 1h-benz[de]isoquinoline-1,3(2h)-dione, 6-amino- - closely applied on the skin for 24 hours.
- Executive summary:
Acute dermal toxicity was estimated using QSAR Toolbox 3.4.0.17(2016) in New Zealand White male and female rabbits by using 1h-benz[de]isoquinoline-1,3(2h)-dione, 6-amino- closely applied on the skin for 24 hours. 50 % mortality were observed in treated rats at 4938 mg/kg bw. Therefore, estimated LD50 was considered to be 4938 mg/kg bw when New Zealand White male and female rabbits by using 1h-benz[de]isoquinoline-1,3(2h)-dione, 6-amino- - closely applied on the skin for 24 hours.
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" or "e" or "f" ) and "g" ) and ("h" and ( not "i") ) ) and ("j" and ( not "k") ) ) and "l" ) and ("m" and ( not "n") ) ) and ("o" and ( not "p") ) ) and "q" ) and ("r" and "s" ) )
Domain logical expression index: "a"
Referential boundary: The target chemical should be classified as Anilines (Acute toxicity) OR Imides (Acute toxicity) by US-EPA New Chemical Categories
Domain logical expression index: "b"
Referential boundary: The target chemical should be classified as Non-covalent interaction AND Non-covalent interaction >> DNA intercalation AND Non-covalent interaction >> DNA intercalation >> DNA Intercalators with Carboxamide and Aminoalkylamine Side Chain AND Non-covalent interaction >> DNA intercalation >> Fused-Ring Primary Aromatic Amines AND Non-covalent interaction >> DNA intercalation >> Polycyclic Aromatic Hydrocarbon and Naphthalenediimide Derivatives 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 >> Alkylation after metabolically formed carbenium ion species AND SN1 >> Alkylation after metabolically formed carbenium ion species >> Polycyclic Aromatic Hydrocarbon and Naphthalenediimide Derivatives AND SN1 >> Nucleophilic attack after metabolic nitrenium ion formation AND SN1 >> Nucleophilic attack after metabolic nitrenium ion formation >> Fused-Ring Primary Aromatic Amines AND SN2 AND SN2 >> Alkylation, direct acting epoxides and related after P450-mediated metabolic activation AND SN2 >> Alkylation, direct acting epoxides and related after P450-mediated metabolic activation >> Polycyclic Aromatic Hydrocarbon and Naphthalenediimide Derivatives by DNA binding by OASIS v.1.4
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 >> Primary aromatic amine by DNA binding by OECD
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as Strong binder, NH2 group by Estrogen Receptor Binding
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as Acylation AND Acylation >> Ester aminolysis AND Acylation >> Ester aminolysis >> Amides AND AN2 AND AN2 >> Michael-type addition to quinoid structures AND AN2 >> Michael-type addition to quinoid structures >> Substituted Anilines by Protein binding by OASIS v1.4
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as Acylation AND Acylation >> Direct Acylation Involving a Leaving group AND Acylation >> Direct Acylation Involving a Leaving group >> Acetates by Protein binding by OECD
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"
Referential boundary: The target chemical should be classified as Non-Metals by Groups of elements
Domain logical expression index: "i"
Referential boundary: The target chemical should be classified as Alkali Earth OR Halogens OR Transition Metals by Groups of elements
Domain logical expression index: "j"
Referential boundary: The target chemical should be classified as Group 14 - Carbon C AND Group 15 - Nitrogen N AND Group 16 - Oxygen O by Chemical elements
Domain logical expression index: "k"
Referential boundary: The target chemical should be classified as Group 16 - Sulfur S by Chemical elements
Domain logical expression index: "l"
Similarity boundary:Target: Nc1ccc2c3c1cccc3C(=O)NC2=O
Threshold=10%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain logical expression index: "m"
Referential boundary: The target chemical should be classified as Stable form by Tautomers unstable
Domain logical expression index: "n"
Referential boundary: The target chemical should be classified as Enol form OR Keto form (5-membered heteroarenes) - 1,3-H shift by Tautomers unstable
Domain logical expression index: "o"
Referential boundary: The target chemical should be classified as Not categorized by Repeated dose (HESS)
Domain logical expression index: "p"
Referential boundary: The target chemical should be classified as Anilines (Hemolytic anemia with methemoglobinemia) Rank A OR Anilines (Hepatotoxicity) Rank C OR Methyldopa (Hepatotoxicity) Alert OR Nitrobenzenes (Hemolytic anemia with methemoglobinemia) Rank A OR Nitrobenzenes (Hepatotoxicity) Rank C OR Nitrophenols/ Halophenols (Energy metabolism dysfuntion) Rank B OR o-/ p-Aminophenols (Hemolytic anemia with methemoglobinemia) Rank B OR Oxyphenistain (Hepatotoxicity) Alert OR p-Aminophenols (Renal toxicity) Rank B by Repeated dose (HESS)
Domain logical expression index: "q"
Referential boundary: The target chemical should be classified as No superfragment by Superfragments ONLY
Domain logical expression index: "r"
Parametric boundary:The target chemical should have a value of log Kow which is >= -0.274
Domain logical expression index: "s"
Parametric boundary:The target chemical should have a value of log Kow which is <= 3.27
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 4 938 mg/kg bw
- Quality of whole database:
- Data is Klimisch 2 and from QSAR Toolbox 3.4.(2016)
Additional information
Acute oral toxicity:
Based on the data available for target 1h-benz[de]isoquinoline-1,3(2h)-dione, 6-amino-(CAS no 1742-95-6) and its read across Phthalimide (CAS no 85-41-6) are summarized below
In a RTECS database (2015), acute oral toxicity was given for rats by using 1-HBenz ( de)isoquinoline-1,3( 2H)-dione,6-amino- in the concentration of 10000 mg/kg/day. No effect on survival of treated rats were observed at 10000 mg/kg bw. Therefore, LD50 was considered to be > 10000 mg/kg/day when rats were treated with 1-HBenz( de)isoquinoline-1,3( 2H)-dione,6-amino- orally.
Based on the prediction done by usingQSAR Toolbox 3.4.0.17(2016), acute oral toxicity was estimated in Wistar male and female rats by using 1h-benz[de]isoquinoline-1,3(2h)-dione, 6-amino- orally by gavage. 50 % mortality were observed in treated rats at 2164.7 mg/kg bw. Therefore, estimated LD50 was considered to be 2164.7 mg/kg bw when Wistar male and female rats by using 1h-benz[de]isoquinoline-1,3(2h)-dione, 6-amino- orally by gavage for 24 hours.
In a study given by OECD HPV SIDS (2005) for read across, acute oral toxicity was evaluated in Crj: CD(SD) male and female rats by using Phthalimide in the concentration of 0 and 2000 mg/kg/day in 1% (w/v) Carboxymethylcellulose orally by gavage and observed for 14 days. No effect on survival, general appearance, body weights, gross pathology and histopathology of treated male and female rats were observed at 2000 mg/kg bw as compared to control. Therefore, LD50 was considered to be > 2000 mg/kg/day when Crj: CD (SD) male and female rats were treated with Phthalimide orally by gavage.
In a above similar source for read across, acute oral toxicity was evaluated in Wistar male rats by using Phthalimide in the concentration of 5000 mg/kg/day in lutrol orally by gavage and observed for 14 days. No effect on survival and general appearance of treated male rats were observed at 5000 mg/kg bw. Therefore, LD50 was considered to be > 5000 mg/kg/day when Wistar male and female rats were treated with Phthalimide orally by gavage.
Thus, Based on weight of evidence for target 1h-benz[de]isoquinoline-1,3(2h)-dione, 6-amino-(CAS no 1742-95-6) and its read across Phthalimide (CAS no 85-41-6) is likely to be non hazardous by oral route as per CLP criteria of classification.
Acute dermal toxicity:
Based on the data available for target 1h-benz[de]isoquinoline-1,3(2h)-dione, 6-amino-(CAS no 1742-95-6) and its read across (CAS no ) and (CAS no) are summarized below
Based on the prediction done by usingQSAR Toolbox 3.4.(2016), acute dermal toxicity was estimated in New Zealand White male and female rabbits by using 1h-benz[de]isoquinoline-1,3(2h)-dione, 6-amino- closely applied on the skin for 24 hours. 50 % mortality were observed in treated rats at 4938 mg/kg bw. Therefore, estimated LD50 was considered to be 4938 mg/kg bw when New Zealand White male and female rabbits by using 1h-benz[de]isoquinoline-1,3(2h)-dione, 6-amino- - closely applied on the skin for 24 hours.
In a study given by OECD HPV SIDS (2005) for read across, acute dermal toxicity was evaluated in New Zealand white 2 male and 1 female rabbits by using Phthalimide in the concentration of 5010 and 7940 mg/kg bw 40% solution-suspension in corn oil by dermal application and observed for 14 days. No effect on survival of treated male and female rabbits were observed at 5010 and 7940 mg/kg bw. Reduced appetite and activity for one to two days were observed in treated rabbits. The viscera appeared normal at end of 14 day. Therefore, LD50 was considered to be > 7940 mg/kg/day when New Zealand white male and female rabbits were treated with Phthalimide by dermal application.
In a above similar source for read across, acute dermal toxicity was evaluated in 2 male and 2 female rabbits by using Phthalimide in the concentration of 3160, 5000 and 7940 mg/kg bw 25 % solution-suspension in corn oil to clipped, intact skin by dermal application and observed for 14 days. No effect on survival of treated male and female rabbits were observed at 3160, 5000 and 7940 mg/kg bw . Reduced appetite and activity were observed in treated rabbits. The viscera appeared normal at end of 14 day. Therefore, LD50 was considered to be > 7940 mg/kg/day when male and female rabbits were treated with Phthalimide by dermal application.
Thus, Based on weight of evidence for target 1h-benz[de]isoquinoline-1,3(2h)-dione, 6-amino-(CAS no 1742-95-6) and its read across Phthalimide (CAS no 85-41-6) is likely to be non hazardous by dermal route as per CLP criteria of classification.
Justification for selection of acute toxicity – oral endpoint
LD50 was considered to be > 10000 mg/kg/day when rats were treated with 1-HBenz( de)isoquinoline-1,3( 2H)-dione,6-amino- orally.
Justification for selection of acute toxicity – dermal endpoint
estimated LD50 was considered to be 4938 mg/kg bw when New Zealand White male and female rabbits by using 1h-benz[de]isoquinoline-1,3(2h)-dione, 6-amino- - closely applied on the skin for 24 hours.
Justification for classification or non-classification
Based on weight of evidence for target 1h-benz[de]isoquinoline-1,3(2h)-dione, 6-amino-(CAS no 1742-95-6) and its read across Phthalimide (CAS no 85-41-6) is likely to be non hazardous by oral and dermal route as per CLP criteria of classification.
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.