Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
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: 221-998-6 | CAS number: 3312-04-7
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.
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.
