N,N-diethyl-p-(phenylazo)aniline

Short-term toxicity to aquatic invertebrates

Link to relevant study record(s)

Reference

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification

Justification for type of information:

Data is from OECD QSAR toolbox version 3.3 and the QMRAF report has been attached.

Qualifier:

according to guideline

Guideline:

other: Estimated data

Version / remarks:

No data available

Deviations:

not specified

Principles of method if other than guideline:

Prediction was done using the OECD QSAR toolbox version 3.3.

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material: 4-(Diethylamino)azobenzene
- Molecular formula: C16H19N3
- Molecular weight: 253.347 g/mol
- Smiles notation: c1(N(CC)CC)ccc(\N=N\c2ccccc2)cc1
- InChl: 1S/C16H19N3/c1-3-19(4-2)16-12-10-15(11-13-16)18-17-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3/b18-17+
- Substance type: Organic
- Physical state: Solid

Analytical monitoring:

not specified

Details on sampling:

No data available

Vehicle:

not specified

Details on test solutions:

No data available

Test organisms (species):

Daphnia magna

Details on test organisms:

No data available

Test type:

static

Water media type:

freshwater

Limit test:

no

Total exposure duration:

48 h

Remarks on exposure duration:

No data available

Post exposure observation period:

No data available

Hardness:

No data available

Test temperature:

24±2°C

pH:

7.9

Dissolved oxygen:

No data available

Salinity:

No data available

Conductivity:

No data available

Nominal and measured concentrations:

No data available

Details on test conditions:

No data available

Reference substance (positive control):

not specified

Key result

Duration:

48 h

Dose descriptor:

EC50

Effect conc.:

12.801 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

mobility

Remarks on result:

other: According to predicted data chemical was toxic

Details on results:

No data available

Results with reference substance (positive control):

No data available

Reported statistics and error estimates:

No data available

The prediction was based on dataset comprised from the following descriptors: EC50
Estimation method: Takes average value from the 6 nearest neighbours
Domain  logical expression:Result: In Domain

(((((((((("a" or "b" or "c" or "d" )  and ("e" and ( not "f") )  )  and "g" )  and "h" )  and "i" )  and "j" )  and ("k" and ( not "l") )  )  and ("m" and ( not "n") )  )  and ("o" and ( not "p") )  )  and ("q" and "r" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Aromatic amine OR Aryl OR Azo by Organic Functional groups ONLY

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Aromatic amine OR Aryl OR Azo OR Overlapping groups by Organic Functional groups (nested) ONLY

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] OR Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Aliphatic Nitrogen, one aromatic attach [-N] OR Amino, aliphatic attach [-N<] OR Aromatic Carbon [C] OR Azo [-N=N-] OR Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA) ONLY

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Amine OR Aromatic compound OR Azo compound OR Tertiary amine OR Tertiary mixed amine by Organic functional groups, Norbert Haider (checkmol) ONLY

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Non binder, without OH or NH2 group by Estrogen Receptor Binding

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Non binder, impaired OH or NH2 group OR Non binder, MW>500 OR Non binder, non cyclic structure OR Weak binder, NH2 group by Estrogen Receptor Binding

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as High (Class III) by Toxic hazard classification by Cramer (with extensions) ONLY

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Aromatic amine AND Aryl AND Azo by Organic Functional groups ONLY

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as Aromatic amine AND Aryl AND Azo by Organic Functional groups ONLY

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Amine AND Aromatic compound AND Azo compound AND Tertiary amine AND Tertiary mixed amine by Organic functional groups, Norbert Haider (checkmol) ONLY

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as Not categorized by Repeated dose (HESS)

Domain logical expression index: "l"

Referential boundary: The target chemical should be classified as Tamoxifen (Hepatotoxicity) Alert by Repeated dose (HESS)

Domain logical expression index: "m"

Referential boundary: The target chemical should be classified as Aromatic Amine Type Compounds AND Arylazo Type Compounds by Oncologic Primary Classification

Domain logical expression index: "n"

Referential boundary: The target chemical should be classified as Polycyclic Aromatic Hydrocarbons - Homocyclic OR Siloxane Type Compounds by Oncologic Primary Classification

Domain logical expression index: "o"

Referential boundary: The target chemical should be classified as Not Related to an Existing ECOSAR Class by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "p"

Referential boundary: The target chemical should be classified as Pyrazoles/Pyrroles OR Triazines, Aromatic OR Vinyl/Allyl Ethers by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "q"

Parametric boundary:The target chemical should have a value of log Kow which is >= 4.15

Domain logical expression index: "r"

Parametric boundary:The target chemical should have a value of log Kow which is <= 6.6

Validity criteria fulfilled:

not specified

Conclusions:

The EC50 value was estimated to be 12.80 mg/l when 4-(Diethylamino)azobenzene exposed to Daphnia magna for 48hrs.

Executive summary:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, toxicity on Daphnia magna was predicted for 4-(Diethylamino)azobenzene (2481 -94 -9). The EC50 value was estimated to be 12.80 mg/l when  4-(Diethylamino) azo -benzene exposed to Daphnia magna for 48hrs.

Description of key information

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, toxicity on Daphnia magna was predicted for 4-(Diethylamino)azobenzene (2481 -94 -9). The EC50 value was estimated to be 12.80 mg/l when  4-(Diethylamino) azo -benzene exposed to Daphnia magna for 48hrs.

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates

Effect concentration:

12.8 mg/L

Additional information

Based on the various experimental data and prediction data for the target chemical and read across chemicals have been reviewed to determine the toxic nature of target chemical 4-(Diethylamino)azobenzene (2481 -94 -9). The studies are as mention below:

In the first weight of evidence study for 4-(Diethylamino)azobenzene (2481 -94 -9), Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, toxicity on Daphnia magna was predicted for 4-(Diethylamino)azobenzene (2481 -94 -9). The EC50 value was estimated to be 12.80 mg/l when  4-(Diethylamino) azo -benzene exposed to Daphnia magna for 48hrs.

Similarly in the second weight of evidence study for RA chemical (86 -30 -6), j-check. Acute Immobilization Test of N-Nitrosodiphenylamine to Daphnia magna. Test was performed in the static system in which different concentration 3.00, 5.40, 9.30, 18.0, 30.0 mg/L was taken. Nominal values were adopted for calculation of effect concentration, because all measurement concentrations of test Substance which were measured at the start of exposure and after 48 hours were within ±20 % of nominal values.). After 24 hrs, Median immobilization concentration (EiC50) was 13.5 mg/L (95 % CL: 9.30 – 18.0 mg/L), No observed effect concentration (NOECi): 9.30 mg/L. And Lowest concentration of 100 % inhibition was 30.0 mg/L. But after 48 hrs. Exposure no observed effect concentration (NOECi) was 3.00 mg/L. And the lowest concentration of 100 % inhibition: 18.0 mg/L. Based on the immobilization of daphnia magna, due to the N-Nitrosodiphenylamine, the EC50 was 10.1 mg/l

Similarly in the third weight of evidence study for the RA chemical (140 -56 -7) ecotox, Study of short term toxicity of N-[[4-(Dimethylamino) phenyl]imino] sulfamic acid sodium salt on the growth of invertebrates. The study was carried out in the static system for 24 hrs.Based on the mortality of Gammarus fasciatus due to the N-[[4-(Dimethylamino)phenyl]imino]sulfamic acid sodium salt dye to the 24 hrs exposure the LC50 was 18 mg/l. Based on the LC50, N-[[4-(Dimethylamino) phenyl]imino] sulfamic acid sodium saltchemical was toxic and can be consider to be not classified as per the CLP classification criteria.

Based on the various experimental data and prediction data for the target chemical and read across chemicals, 4-(Diethylamino)azobenzene (2481 -94 -9) was toxic and can be consider to be toxic and can be classified in aquatic chronic 3 category.