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EC number: 221-998-6 | CAS number: 3312-04-7
- 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
Endpoint summary
Administrative data
Description of key information
Bioaccumulation in aqauatic and sediments:
From BCFBAF Program (v3.00) model of EPI suitethe estimated bio concentration factor (BCF) for 1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene (CAS No: 3312-04-7) is 3056 L/kg wet-wt which exceeds the bioconcentration threshold of 2000.Thus it is concluded that the test chemical 1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene is expected to bio accumulate in the aquatic environment.
Additional information
Bioaccumulation in aqauatic and sediments:
Different predicted data has been reviwed for bioaccumulation end point of target chemical 1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene (CAS No: 3312-04-7)
and their results are summarized as below.
First prediction done from BCFBAF Program (v3.00) model of Estimation program Interface (EPI suite), 2017. The estimated bio concentration factor (BCF) for 1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene (CAS No: 3312-04-7) is 3056 L/kg wet-wt .
Next prediction done by using Bio-concentration Factor (v12.1.0.50374) module ofACD (Advanced Chemistry Development)/I-Lab predictive module, 2017).Bio-concentration Factor at pH 1-14 of the chemical 1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene ( CAS no.3312 -04 -7) estimated to be 8764 dimensionless. T
Another predicted data was estimated using Sci Finder database ( American Chemical Society (ACS), 2017).The Bioconcentration factor (BCF) for test chemical 1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene (CAS No: 3312-04-7) was predicted in aquatic organisms at pH 1-10 and temperature 25 °C .The Bioconcentration factor (BCF) of test substance 1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzenewas estimated to be 10700 dimensionless.
By using CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) the bioaccumulation i.e BCF for test substance1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene ( CAS no. 3312 -04 -7)was estimated to be 10200 dimensionless . The predicted BCF result based on the 5 OECD principles.
One more prediction done by using Chemspider-ACD/Phychem suite( 2017) prediction model.The Bioconcentration factor (BCF) for test chemical 1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene (CAS No: 3312-04-7) was predicted in aquatic organisms at pH 5.5 and pH 7.4. The Bioconcentration factor (BCF) of test substance1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene at pH 5.5 and 7.4 was estimated to be 4478.24 dimensionless.
On the basis of above results for target chemical 1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene (from EPI suite, ACD labs, Sci Finder database, CompTox Chemistry Dashboard and ChemSpider, 2017) it can be concluded that the BCF value of test substance 1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene ranges from 3056 -10700 which exceeds the bioconcentration threshold of 2000, indicating that the chemical1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzeneis expected to bioaccumulate in the food chain.
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