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Environmental fate & pathways

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Description of key information

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 3-bromoquinoline ( cas No. 5332 -24 -1). The bioconcentration factor (BCF) of 3-bromoquinoline was estimated to be 46.37 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical 3-bromoquinoline is expected to non bioaccumulate in the food chain.

Additional information

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 3-bromoquinoline ( cas No. 5332 -24 -1). The bioconcentration factor (BCF) of 3-bromoquinoline was estimated to be 46.37 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical 3-bromoquinoline is expected to non bioaccumulate in the food chain.

 

Similarly using Bio-concentration Factor (v12.1.0.50374) module (ACD (Advanced Chemistry Development)/I-Lab predictive module) Bio-concentration Factor over the entire pH scale of the test substance 3-bromoquinoline estimated to be 11.5, 83.4, 270, 349, 360, and 361 at pH range from 1, 2, 3, 4, and 5-14 respectively. This value indicates that the test substance 3-bromoquinoline was consider to be non-accumulative in aquatic organisms.

 

Bioconcentration Factor (BCF) of test chemical 3-bromoquinoline (CAS no. 5332 -24 -1) was estimated using Chemspider database. The bioconcentration factor of test substance 3-bromoquino- line was estimated to be 97.57 and 97.67 at pH 5.5 and 7.4, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 3-bromoquinoline is not expected to bioaccumulate in the food chain.

 

In another predicted report from SciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test chemical 3-bromoquinoline (CAS No. 5332 -24 -1). The bioconcentration factor (BCF) of 3-bromoquinoline was estimated to be 1, 6.06, 19.7, 25.4, 26.2 and 26.3 at pH range 1, 2, 3, 4, 5 and 6-10, respectively, (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical 3-bromoquinoline is not expected to bioaccumulate in the food chain.

 

From 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 substance 3-bromoquinoline was estimated to be 14.1 dimensionless. The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 3-bromoquinoline is non-bioaccumulative in nature.

 

In a supporting weight of evidence study from authoritative database (J-check, 2017) for the read across chemical 1-Azanaphthalene-8-ol (CAS no 148-24-3) Bioaccumulation experiment was conducted. Bioaccumulation test was conducted for 6 weeks for determination the bioconcentration factor (BCF) of substance 1-Azanaphthalene-8-ol (CAS no 148-24-3) on test organism Cyprinus carpio. Recovery ratio : Test water : 1st concentration area : 97.2 %, 2nd concentration area : 99.0 %, Fish : 73.6 %, - Limit of detection : Test water : 1st Concentration area: 0.0044 mg/L, 2nd concentration area: 0.00044 mg/L, Fish: 0.19 microg/g. 2 Nominal concentrations was used in the study, 1st Concentration area: 0.05 mg/L, 2nd Concentration area: 0.005 mg/L. Dimethyl sulfoxide was used as a vehicle with different concentrations in both nominal test concentrations. The bioconcentration factor (BCF) for substance 1-Azanaphthalene-8-ol was determined according static fish test. The BCF value was observed to be ≤ 4.2 L/kg at dose concentration 0.05 mg/L and ≤ 41 L/kg at dose concentration 0.005 mg/L on test organism Cyprinus carpio during 6 weeks period. Therefore it is concluded that this test chemical is nonbioaccumulative in fish and food chain.

On the basis of available information, the test 3-bromoquinoline (CAS No. 5332 -24 -1) can be considered to be nonbioaccumulative in nature.