4-(phenylazo)benzene-1,3-diamine acetate

Toxicity to aquatic algae and cyanobacteria

Link to relevant study record(s)

Reference

Endpoint:

toxicity to aquatic algae and cyanobacteria

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Justification for type of information:

Data is predicted using OECD QSAR toolbox version 3.3 and QMRF report has been attached

Qualifier:

according to guideline

Guideline:

other: estimated data

Principles of method if other than guideline:

Prediction was done by using OECD QSAR toolbox v3.3

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material: 4-(phenylazo)benzene-1,3-diamine acetate
- IUPAC name: 4-(phenylazo)benzene-1,3-diamine acetate
- Molecular formula: C14H16N4O2
- Molecular weight: 272.306 g/mole
- Smiles : c1(ccc(c(N)c1)\N=N\c1ccccc1)N.C(C)(=O)O
- Inchl: 1S/C12H12N4.C2H4O2/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;1-2(3)4/h1-8H,13-14H2;1H3,(H,3,4)/b16-15+;
- Substance type: Organic
- Physical state: Solid

Analytical monitoring:

not specified

Vehicle:

not specified

Test organisms (species):

Raphidocelis subcapitata (previous names: Pseudokirchneriella subcapitata, Selenastrum capricornutum)

Test type:

static

Water media type:

freshwater

Limit test:

no

Total exposure duration:

72 h

Key result

Duration:

72 h

Dose descriptor:

EC50

Effect conc.:

3.483 mg/L

Nominal / measured:

not specified

Conc. based on:

test mat.

Basis for effect:

other: Growth

The prediction was based on dataset comprised from the following descriptors: EC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

((((("a" or "b" or "c" or "d" )  and ("e" and ( not "f") )  )  and ("g" and ( not "h") )  )  and ("i" and ( not "j") )  )  and ("k" and "l" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Anilines (Acute toxicity) AND Not categorized by US-EPA New Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as SN1 AND SN1 >> Nitrenium Ion formation AND SN1 >> Nitrenium Ion formation >> Aromatic azo AND SN1 >> Nitrenium Ion formation >> Primary aromatic amine by DNA binding by OECD

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Strong binder, NH2 group by Estrogen Receptor Binding

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Anilines (amino-meta) AND Anilines (Unhindered) by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Acid, aliphatic attach [-COOH] AND Alcohol, olefinic attach [-OH] AND Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic Nitrogen, one aromatic attach [-N] AND Aromatic Carbon [C] AND Azo [-N=N-] AND Carbonyl, aliphatic attach [-C(=O)-] AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Amino Triazine/Pyrazine/Pyrimidine  by Organic functional groups (US EPA)

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as (N/A) by Database Affiliation

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as MUNRO non-cancer EFSA by Database Affiliation

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as Not categorized by OECD HPV Chemical Categories

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Primary amines by OECD HPV Chemical Categories

Domain logical expression index: "k"

Parametric boundary:The target chemical should have a value of log Kow which is >= 0.156

Domain logical expression index: "l"

Parametric boundary:The target chemical should have a value of log Kow which is <= 4.27

Validity criteria fulfilled:

not specified

Conclusions:

he EC50 was estimated to be 3.4 mg/l when Pseudokirchneriella subcapitata was exposed with4-(phenylazo)benzene-1,3-diamine acetate.
On the basis of the effect concentration the test chemical is considered toxic and can be classified in the category "Aquatic chronic 2"

Executive summary:

In a prediction done by SSS (2018) using the OECD QSAR toolbox with log kow as the primary descriptor, the short term aquatic toxicity to algae and cyanobacteria was estimated for4-(phenylazo)benzene-1,3-diamine acetate. The EC50 was estimated to be 3.4 mg/l when Pseudokirchneriella subcapitata was exposed with4-(phenylazo)benzene-1,3-diamine acetate.

On the basis of the effect concentration the test chemical is considered toxic and can be classified in the category "Aquatic chronic 2"

Description of key information

Toxicity to aquatic algae and cynobacteria:

In a prediction done by SSS (2018) using the OECD QSAR toolbox with log kow as the primary descriptor, the short term aquatic toxicity to algae and cyanobacteria was estimated for4-(phenylazo)benzene-1,3-diamine acetate. The EC50 was estimated to be 3.4 mg/l whenPseudokirchneriella subcapitatawas exposed with4-(phenylazo)benzene-1,3-diamine acetate.

On the basis of the effect concentration the test chemical is considered toxic and can be classified in the category "Aquatic chronic 2"

Key value for chemical safety assessment

EC50 for freshwater algae:

3.4 mg/L

Additional information

Toxicity to aquatic algae and cynobacteria:

In a prediction done by SSS (2018) using the OECD QSAR toolbox with log kow as the primary descriptor, the short term aquatic toxicity to algae and cyanobacteria was estimated for4-(phenylazo)benzene-1,3-diamine acetate. The EC50 was estimated to be 3.4 mg/l whenPseudokirchneriella subcapitatawas exposed with4-(phenylazo)benzene-1,3-diamine acetate.

On the basis of the effect concentration the test chemical is considered toxic and can be classified in the category "Aquatic chronic 2"

The above experimental data was furthe supported by experimental result summarized in Hazardous substance data bank for P- aminodiphenylamine  U.S National Library of Medicine 2013 for the structurally similar read across substance P- aminodiphenylamine (CAS:101 -54 -2).

p-Aminodiphenylamine was used as a test material to evaluate it’s toxicity for Scenedesmus subspicatus for 72h . The effect concentration of p-Aminodiphenylamine was observed to be 2.4 mg/l.

Based on the above effect concentration the test chemical is considered toxic and can be classified in the category " Acute Aquatic 2" for algae