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EC number: 218-441-4 | CAS number: 2152-64-9
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- Endpoint summary
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- Endpoint summary
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- Ecotoxicological Summary
- Aquatic toxicity
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- 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
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Endpoint summary
Administrative data
Description of key information
Hydrolysis
Hydrolysis of N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS no. 2152 -64 -9) is predicted using OECD QSAR toolbox version 3.3 (2017) with logKow as the primary descriptor. The estimated half-life of N-phenyl-4 -[[4 -(phenylamino)phenyl][4 -(phenylimino)cyclohexa-2,5 -dien-1 -ylidene] methyl]aniline monohydrochloride was estimated to be 184 days, indicating that it is not hydrolysable.
Biodegradation in water
Biodegradability of N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS no. 2152 -64 -9) is predicted using OECD QSAR toolbox version 3.3 (2017) with logKow as the primary descriptor. Test substance undergoes 0.286% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride was estimated to be not readily biodegradable in water.
Biodegradation in water and sediment
Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound N-phenyl-4 -[[4 -(phenylamino) phenyl][4 -(phenylimino)cyclohexa-2,5 -dien-1 -ylidene]methyl]aniline monohydrochloride (CAS No. 2152 -64 -9). If released in to the environment, 1.17% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of N-phenyl-4 -[[4 -(phenylamino)phenyl][4 -(phenylimino)cyclohexa-2,5 -dien-1 -ylidene] methyl]aniline monohydrochloride in water is estimated to be 60 days (1440 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is moderate to high whereas the half-life period of N-phenyl-4 -[[4 -(phenylamino)phenyl][4 -(phenylimino)cyclohexa-2,5 -dien-1 -ylidene]methyl] aniline monohydrochloride in sediment is estimated to be 541.66 days (13000 hrs). Based on this half-life value, it indicates that N-phenyl-4 -[[4 -(phenylamino)phenyl][4 -(phenylimino)cyclo hexa-2,5 -dien-1 -ylidene]methyl]aniline monohydrochloride is persistent in sediment.
Biodegradation in soil
The half-life period of N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No. 2152 -64 -9) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 36.5% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride in soil is estimated to be 120 days (2880 hrs). Based on this half-life value of N-phenyl-4 -[[4 -(phenylamino)phenyl][4 -(phenylimino)cyclohexa-2,5 -dien-1 -ylidene]methyl]aniline monohydrochloride, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.
Bioaccumulation: aquatic / sediment
BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical N-phenyl-4 -[[4 -(phenylamino) phenyl][4 -(phenylimino)cyclohexa-2,5 -dien-1 -ylidene]methyl]aniline monohydrochloride (CAS No. 2152 -64 -9). The bioconcentration factor (BCF) of N-phenyl-4 -[[4 -(phenylamino) phenyl][4 -(phenylimino)cyclohexa-2,5 -dien-1 -ylidene]methyl]aniline monohydrochloride was estimated to be 4839 L/kg whole body w.w (at 25 deg C) which exceeds the bio concentration threshold of 2000, indicating that the chemical N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydro chloride is expected to bioaccumulate in the food chain.
Adsorption / desorption
From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model (2017) in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the adsorption coefficient i.e KOC for test substance N-phenyl-4 -[[4 -(phenylamino)phenyl][4 -(phenyl imino)cyclohexa- 2,5 -dien-1 -ylidene]methyl]aniline monohydrochloride was estimated to be 131000 L/kg (log Koc = 5.117).The predicted KOC result based on the 5 OECD principles. This Koc value indicates that the substance N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.
Additional information
Hydrolysis
Hydrolysis of N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS no. 2152 -64 -9) is predicted using OECD QSAR toolbox version 3.3 (2017) with logKow as the primary descriptor. The estimated half-life of N-phenyl-4 -[[4 -(phenylamino)phenyl][4 -(phenylimino)cyclohexa-2,5 -dien-1 -ylidene] methyl]aniline monohydrochloride was estimated to be 184 days, indicating that it is not hydrolysable.
Biodegradation in water
Various predicted data for the target compound N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No. 2152-64-9) and supporting weight of evidence studies for its closest read across substance with logKow as the primary descriptor were reviewed for the biodegradation end point which are summarized as below:
In a prediction done by SSS (2017) using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor, percentage biodegradability of test chemical N-phenyl-4 -[[4 -(phenylamino)phenyl][4 -(phenylimino)cyclohexa-2,5 -dien-1 -ylidene]methyl]aniline monohydrochloride(CAS No. 2152-64-9) was estimated.Test substance undergoes 0.286% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical N-phenyl-4 -[[4 -(phenylamino)phenyl][4 -(phenylimino)cyclohexa-2,5 -dien-1 -ylidene]methyl]aniline monohydrochloride was estimated to be not readily biodegradable in water.
In another prediction using the Estimation Programs Interface Suite (EPI suite, 2017), the biodegradation potential of the test compound N-phenyl-4 -[[4 -(phenylamino)phenyl][4 -(phenylimino)cyclohexa-2,5 -dien-1 -ylidene]methyl]aniline monohydrochloride (CAS No. 2152-64-9) in the presence of mixed populations of environmental microorganisms was estimated.The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical N-phenyl-4 -[[4 -(phenylamino)phenyl][4 -(phenylimino)cyclohexa-2,5 -dien-1-ylidene]methyl]aniline monohydrochloride is expected to be not readily biodegradable.
In a supporting weight of evidence study from peer reviewed journal (Toshihide Saito et. al, 1984) for the read across chemical 4,4'-carbonimidoylbis(N,N-dimethylaniline) hydrochloride (CAS no. 2465-27-2),biodegradation experiment was conducted for evaluating the percentage biodegradability of read across substance 4,4'-carbonimidoylbis (N,N-dimethylaniline) hydrochloride. Activated sludge was used as a test inoculum obtained from municipal sewage. Test substance of conc. 500 mg/l was prepared and diluted as needed. The COD measurement was performed by the potassium dichromate reflux method based on Japanese Industrial Standards. In the BOD measurement, a sample solution was taken into a container. Then JIS-BOD testing solutions, i.e. 3 ml of A solution and 1 ml of B, C, D solutions were added to the sample solution, respectively. Then 5 ml of the supernatant of the municipal sewage activated sludge was added to the sample solution and diluted to 300 ml with water. Immediately, the BOD-time curve was recorded at 20~ using an Ohkura OM-200I type coulometer. The TOC measurement was carried out by a Yanagimoto TOC-ILW.BOD5, COD, ThOD and TOC value of the read across chemical was determined to be 0.038, 1.42, 2.50 and 0.32 g/g, respectively. The BOD5/TOC ratio of read across chemical was determined to be 0.12 (i.e. ranges in between 0.08-0.89), indicating that the chemical is highly resistant to aerobic biodegradation. Thus, based on this value BOD5/TOC value, it can be concluded that the chemical 4,4'-carbonimidoylbis(N,N-dimethylaniline) hydrochloride is not readily biodegradable in nature.
For the same read across chemical 4,4'-carbonimidoylbis(N,N-dimethylaniline) hydrochloride (CAS no. 2465-27-2), biodegradation study was conducted for 14 days for evaluating the percentage biodegradability of read across substance 4,4'-carbonimidoylbis(N,N-dimethylaniline) hydrochloride. (CAS no. 2465-27-2) (J-CHECK, 2017 and EnviChem, 2014). Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of read across substance 4,4'-carbonimidoylbis(N,N-dimethylaniline) hydrochloride was determined to 0 and 12% by BOD and UV-Vis parameter in 14 days. Thus, based on percentage degradation, 4,4'-carbonimidoylbis(N,N-dimethylaniline) hydrochloride is considered to be not readily biodegradable in nature.
Another biodegradation study (from authoritative databaseJ-CHECK, 2017)was conducted for 28 days for evaluating the percentage biodegradability of read across substance 4,4'-methylenebis(N,N-dimethylaniline) (CAS no. 101 -61 -1). Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of read across substance 4,4'-methylenebis(N,N-dimethylaniline) was determined to 0 and 1% by BOD and HPLC parameter in 28 days. Thus, based on percentage degradation, 4,4'-methylenebis(N,N-dimethylaniline) is considered to be not readily biodegradable in nature.
In a supporting weight of evidence study for the read across chemical 6-phenyl-1,3,5-triazine-2,4-diamine (CAS no. 91-76-9), biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of read across substance 6-phenyl-1,3,5-triazine-2,4-diamine (J-CHECK, 2017 and OECD SIDS, 2001). The study was performed according to OECD Guide-line 301 C "Ready Biodegradability: Modified MITI Test (I)". under aerobic conditions. Aniline was used as a reference substance for the study. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. Reference substance undergoes 66 and 77% degradation in 7 and 14 days, respectively. The percentage degradation of read across substance was determined to be 2, 0 and 1% by BOD, TOC removal and HPLC parameter in 28 days. Thus, based on percentage degradation, 6 -phenyl-1,3,5 -triazine-2,4 -diamine is considered to be not readily biodegradable in nature.
On the basis of above results for target chemicalN-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride(from OECD QSAR toolbox version 3.3 and EPI suite, 2017) and for its read across substance (from peer reviewed journal, authoritative database J-CHECK, EnviChem, and secondary source OECD SIDS), it can be concluded that the test substance N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride can be expected to be not readily biodegradable in nature.
Biodegradation in water and sediment
Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound N-phenyl-4 -[[4 -(phenylamino) phenyl][4 -(phenylimino)cyclohexa-2,5 -dien-1 -ylidene]methyl]aniline monohydrochloride (CAS No. 2152 -64 -9). If released in to the environment, 1.17% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of N-phenyl-4 -[[4 -(phenylamino)phenyl][4 -(phenylimino)cyclohexa-2,5 -dien-1 -ylidene] methyl]aniline monohydrochloride in water is estimated to be 60 days (1440 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is moderate to high whereas the half-life period of N-phenyl-4 -[[4 -(phenylamino)phenyl][4 -(phenylimino)cyclohexa-2,5 -dien-1 -ylidene]methyl] aniline monohydrochloride in sediment is estimated to be 541.66 days (13000 hrs). Based on this half-life value, it indicates that N-phenyl-4 -[[4 -(phenylamino)phenyl][4 -(phenylimino)cyclo hexa-2,5 -dien-1 -ylidene]methyl]aniline monohydrochloride is persistent in sediment.
Biodegradation in soil
The half-life period of N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride (CAS No. 2152 -64 -9) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 36.5% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride in soil is estimated to be 120 days (2880 hrs). Based on this half-life value of N-phenyl-4 -[[4 -(phenylamino)phenyl][4 -(phenylimino)cyclohexa-2,5 -dien-1 -ylidene]methyl]aniline monohydrochloride, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.
On the basis of available information, the test substance N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride can be considered to be not readily biodegradable in nature.
Bioaccumulation: aquatic / sediment
BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical N-phenyl-4 -[[4 -(phenylamino) phenyl][4 -(phenylimino)cyclohexa-2,5 -dien-1 -ylidene]methyl]aniline monohydrochloride (CAS No. 2152 -64 -9). The bioconcentration factor (BCF) of N-phenyl-4 -[[4 -(phenylamino) phenyl][4 -(phenylimino)cyclohexa-2,5 -dien-1 -ylidene]methyl]aniline monohydrochloride was estimated to be 4839 L/kg whole body w.w (at 25 deg C) which exceeds the bio concentration threshold of 2000, indicating that the chemical N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydro chloride is expected to bioaccumulate in the food chain.
Adsorption / desorption
Predicted data for the target compound N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride(CAS No. 2152-64-9) and supporting weight of evidence study for its read across substance were reviewed for the adsorption end point which are summarized as below:
From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model (2017) in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the adsorption coefficient i.e KOC for test substance N-phenyl-4 -[[4 -(phenylamino)phenyl][4 -(phenylimino)cyclohexa- 2,5 -dien-1 -ylidene]methyl]aniline monohydrochloride (CAS no. 2152-64-9) was estimated to be 131000 L/kg (log Koc = 5.117).The predicted KOC result based on the 5 OECD principles.
In a supporting weight of evidence study from authoritative database (HSDB, 2017) for the read across chemical (4 -(4,4'-Bis(dimethylamino)benzhydrylidene)cyclohexa-2,5 -dien-1 -ylidene)dimethylammonium, chloride (CAS no. 548-62-9), adsorption experiment was conducted for estimating the adsorption coefficient (Koc) value of read across chemical (4 -(4,4'-Bis(dimethylamino)benzhydrylidene)cyclohexa-2,5 -dien-1 -ylidene) dimethylammonium, chloride. The adsorption coefficient (Koc) value was calculated using a structure estimation method based on molecular connectivity indices. The adsorption coefficient (Koc) value of substance (4 -(4,4'-Bis(dimethylamino)benzhydrylidene)cyclohexa-2,5 -dien-1 -ylidene)dimethylammonium, chloride was estimated to be 610000 (Log Koc = 5.785).
On the basis of above overall results for target chemicalN-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride(from EPI suite,2017) and for its read across substance (from authoritative database HSDB, 2017), it can be concluded that the Koc value of test substance N-phenyl-4 -[[4 -(phenylamino) phenyl][4 -(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloridewas estimated to be 131000 L/kgindicating that the test chemical N-phenyl-4 -[[4 -(phenyl amino)phenyl][4 -(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloridehas a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.
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