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EC number: 210-441-2 | CAS number: 615-66-7
- 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
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption
- Remarks:
- adsorption
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Data is from predictive model developed by US EPA.
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Estimation of adsorption coefficient (Koc) by using KOCWIN Program (v2.00) of EPI Suite.
- GLP compliance:
- not specified
- Type of method:
- other: MCI Method
- Media:
- soil
- Radiolabelling:
- not specified
- Test temperature:
- 25 deg C
- Analytical monitoring:
- not specified
- Type:
- Koc
- Value:
- 55.39 L/kg
- Temp.:
- 25 °C
- Remarks on result:
- other: Log Koc = 1.7434 (Estimated via MCI method)
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The Soil Adsorption Coefficient (Koc) of 2-chloro-p-phenylenediamine was estimated using the EPI suite KOCWIN Program (v2.00). The Soil Adsorption Coefficient (Koc) of 2-chloro-p-phenylenediamine was estimated as 55.39 L/kg (log Koc = 1.7434) by means of MCI method. The results indicate that the chemical 2-chloro-p-phenylenediamine (CAS No.615-66-7) is likely to to show low tendency of sorption to soil and sediment and show moderate migration potential to groundwater.
- Executive summary:
The Soil Adsorption Coefficient (Koc) of 2-chloro-p-phenylenediamine was estimated using the EPI suite KOCWIN Program (v2.00). The Soil Adsorption Coefficient (Koc) of 2-chloro-p-phenylenediamine was estimated as 55.39 L/kg (log Koc = 1.7434) by means of MCI method. The results indicate that the chemical 2-chloro-p-phenylenediamine (CAS No.615-66-7) is likely to to show low tendency of sorption to soil and sediment and show moderate migration potential to groundwater.
Reference
KOCWIN Program (v2.00) Results:
==============================
SMILES : Nc(c(cc(N)c1)CL)c1
CHEM : 1,4-Benzenediamine, 2-chloro-
MOL FOR: C6 H7 CL1 N2
MOL WT : 142.59
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 4.198
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 2.7884
Fragment Correction(s):
2 Nitrogen to non-fused aromatic ring ... : -1.0450
Corrected Log Koc .................................. : 1.7434
Estimated Koc: 55.39 L/kg
Description of key information
The Soil Adsorption Coefficient (Koc) of 2-chloro-p-phenylenediamine was estimated using the EPI suite KOCWIN Program (v2.00). The Soil Adsorption Coefficient (Koc) of 2-chloro-p-phenylenediamine was estimated as 55.39 L/kg (log Koc = 1.7434) by means of MCI method. The results indicate that the chemical 2-chloro-p-phenylenediamine (CAS No.615-66-7) is likely to to show low tendency of sorption to soil and sediment and show moderate migration potential to groundwater.
Key value for chemical safety assessment
- Koc at 20 °C:
- 55.39
Additional information
Adsorption/ Desorption
Various adsorption studies for the target substance 2-chloro-p-phenylenediamine (CAS No.615-66-7) and for its read across substances 3-chloroaniline (CAS No.- 108-42-9) and 3,4-dichloroaniline (CAS No.- 95-76-1) by considering its structure-activity relationships, were summarized as follows:
The Soil Adsorption Coefficient (Koc) of 2-chloro-p-phenylenediamine was estimated using the EPI suite KOCWIN Program (v2.00). The Soil Adsorption Coefficient (Koc) of 2-chloro-p-phenylenediamine was estimated as 55.39 L/kg (log Koc = 1.7434) by means of MCI method. The results indicate that the chemical 2-chloro-p-phenylenediamine (CAS No.615-66-7) is likely to to show low tendency of sorption to soil and sediment and show moderate migration potential to groundwater.
Another Predicted data for soil adsorption coefficient of 2-chloro-p-phenylenediamine (CAS No.615-66-7) is generated using the ACD/Labs Percepta Platform - PhysChem Module. The soil adsorption coefficient i.e Koc of test substance 2-chloro-p-phenylenediamine was estimated to be 77.11 (Log Koc = 1.88) and 94.22 (Log Koc = 1.94) at pH 5.5 and 7.4 and at temperature 25 deg C. The results indicate that the chemical 2-chloro-p-phenylenediamine (CAS No.615-66-7) is likely to show low tendency of sorption to soil and sediment and show moderate migration potential to groundwater.
Based on the study from an authoritative database [HSDB(Hazardous Substances Data Bank) (2017)], an estimated adsorption coefficient (Koc) value of 250, determined from a log Kow of 1.88 and a regression-derived equation, indicates that 3-chloroaniline (CAS No.- 108-42-9) is expected to have moderate mobility in soil.
Moreover, based on the study from a same authoritative database [HSDB(Hazardous Substances Data Bank) (2017)], a Koc value of 193 (log Koc= 2.29) was measured during a batch adsorption test with a silt loam soil. According to a classification scheme, this Koc value suggests that 3,4-dichloroaniline (CAS No.- 95-76-1) is expected to have moderate mobility in soil.
Thus based on the above studies for target substance 2-chloro-p-phenylenediamine and the read across substance and by applying weight of evidence approach, it can be concluded that the chemical 2-chloro-p-phenylenediamine (CAS No.615-66-7) is likely to show low to moderate tendency of sorption to soil and sediment.
[LogKoc: 1.7434]
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