Disodium [6-amino-5-[(2-hydroxy-4-nitrophenyl)azo]-N-methylnaphthalene-2-sulphonamidato(2-)][6-amino-5-[(2-hydroxy-4-nitrophenyl)azo]naphthalene-2-sulphonato(3-)]cobaltate(2-)

Biodegradation in water: screening tests

Link to relevant study record(s)

Reference

Endpoint:

biodegradation in water: screening tests

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:

The supporting QMRF report has been attached

Qualifier:

according to guideline

Guideline:

OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))

Principles of method if other than guideline:

The prediction was done by using OECD QSAR tool box v3.3

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material: Disodium [6-amino-5-[(2-hydroxy-4-nitrophenyl)azo]-N-methylnaphthalene-2-sulphonamidato(2-)] [6-amino-5- [(2-hydroxy-4-nitrophenyl) azo]naphthalene-2-sulphonato(3-)]cobaltate(2-)
- IUPAC name: Disodium [6-amino-5-[(2-hydroxy-4-nitrophenyl)azo]-N-methylnaphthalene-2-sulphonamidato(2-)][6-amino-5-[(2-hydroxy-4-nitrophenyl) azo]naphthalene-2-sulphonato(3-)]cobaltate(2-)
- Molecular formula: C33H22CoN9O11S2. 2 Na
- Molecular weight: 890 g/mole
- Smiles :Cc1cc(N(=O)=O)c2c(c1)N=N1c3c4ccc(S(O)(=O)=O)cc4ccc3N[Co]{2+}113(Nc4ccc5cc(S(=O)(=O)N C)ccc5c4N1=Nc1ccc(N(=O)=O) cc1O{-}.3).O{-}2Na
- Substance type: Organic
- Physical state: Solid

Oxygen conditions:

not specified

Inoculum or test system:

other: Microorganisms

Duration of test (contact time):

28 d

Parameter followed for biodegradation estimation:

other: BOD

Key result

Parameter:

other: % degradability BOD

Value:

0.667

Sampling time:

28 d

Remarks on result:

other: other details not available

Details on results:

Percent biodegradation of the test chemical Disodium [6-amino-5-[(2-hydroxy-4-nitrophenyl)azo]-N-methylnaphthalene-2-sulphonamidato(2-)][6-amino-5-[(2-hydroxy-4-nitrophenyl)azo] naphthalene-2-sulphonato(3-)]cobaltate(2-) was estimated to be 0.66 % by considering BOD as parameter and Microorganism as inoculum in 28 days

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

((((("a" or "b" )  and "c" )  and "d" )  and "e" )  and ("f" and "g" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Radical OR Radical >> Radical mechanism via ROS formation (indirect) OR Radical >> Radical mechanism via ROS formation (indirect) >> Diazenes OR Radical >> Radical mechanism via ROS formation (indirect) >> Nitro Azoarenes OR SN1 OR SN1 >> Nucleophilic attack after reduction and nitrenium ion formation OR SN1 >> Nucleophilic attack after reduction and nitrenium ion formation >> Nitro Azoarenes by DNA binding by OASIS v.1.3 ONLY

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as SN1 OR SN1 >> Nitrenium Ion formation OR SN1 >> Nitrenium Ion formation >> Aromatic azo OR SN1 >> Nitrenium Ion formation >> Aromatic nitro by DNA binding by OECD ONLY

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Not calculated by Biodeg probability (Biowin 7) ONLY

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Not calculated by Biodeg ultimate (Biowin 3) ONLY

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Not calculated by Biodeg ultimate (Biowin 3) ONLY

Domain logical expression index: "f"

Parametric boundary:The target chemical should have a value of Molecular weight which is >= 417 Da

Domain logical expression index: "g"

Parametric boundary:The target chemical should have a value of Molecular weight which is <= 889 Da

Validity criteria fulfilled:

not specified

Interpretation of results:

under test conditions no biodegradation observed

Conclusions:

Percent biodegradation of the test chemical Disodium [6-amino-5-[(2-hydroxy-4-nitrophenyl)azo]-N-methylnaphthalene-2-sulphonamidato(2-)][6-amino-5-[(2-hydroxy-4-nitrophenyl)azo] naphthalene-2-sulphonato(3-)]cobaltate(2-) was estimated to be 0.66 % by considering BOD as parameter and Microorganism as inoculum in 28 days. On the basis of percent degradability value it can be concluded that test chemical Disodium [6-amino-5-[(2-hydroxy-4-nitrophenyl)azo]-N-methylnaphthalene-2-sulphonamidato(2-)][6-amino-5-[(2-hydroxy-4-nitrophenyl)azo] naphthalene-2-sulphonato(3-)]cobaltate(2-) is not readily biodegradable.

Executive summary:

Biodegradability of test chemical Disodium [6-amino-5-[(2-hydroxy-4-nitrophenyl)azo]-N-methylnaphthalene-2-sulphonamidato(2-)][6-amino-5-[(2-hydroxy-4-nitrophenyl)azo] naphthalene-2-sulphonato(3-)]cobaltate(2-) (CAS no. 75314-27-1) was estimated by using OECD QSAR tool box v3.3 by considering six closest read across chemical log Kow as primary descriptor. Percent biodegradation of the test chemical Disodium [6-amino-5-[(2-hydroxy-4-nitrophenyl)azo]-N-methylnaphthalene-2-sulphonamidato(2-)][6-amino-5-[(2-hydroxy-4-nitrophenyl)azo] naphthalene-2-sulphonato(3-)]cobaltate(2-) was estimated to be 0.66 % by considering BOD as parameter and Microorganism as inoculum in 28 days. On the basis of percent degradability value it can be concluded that test chemical Disodium [6-amino-5-[(2-hydroxy-4-nitrophenyl)azo]-N-methylnaphthalene-2-sulphonamidato(2-)][6-amino-5-[(2-hydroxy-4-nitrophenyl)azo] naphthalene-2-sulphonato(3-)]cobaltate(2-) is not readily biodegradable.

Description of key information

Biodegradability of test chemical Disodium [6-amino-5-[(2-hydroxy-4-nitrophenyl)azo]-N-methylnaphthalene-2-sulphonamidato(2-)][6-amino-5-[(2-hydroxy-4-nitrophenyl)azo] naphthalene-2-sulphonato(3-)]cobaltate(2-) (CAS no. 75314-27-1) was estimated by using OECD QSAR tool box v3.3 by considering six closest read across chemical log Kow as primary descriptor. Percent biodegradation of the test chemical Disodium [6-amino-5-[(2-hydroxy-4-nitrophenyl)azo]-N-methylnaphthalene-2-sulphonamidato(2-)][6-amino-5-[(2-hydroxy-4-nitrophenyl)azo] naphthalene-2-sulphonato(3-)]cobaltate(2-) was estimated to be 0.66 % by considering BOD as parameter and Microorganism as inoculum in 28 days. On the basis of percent degradability value it can be concluded that test chemical Disodium [6-amino-5-[(2-hydroxy-4-nitrophenyl)azo]-N-methylnaphthalene-2-sulphonamidato(2-)][6-amino-5-[(2-hydroxy-4-nitrophenyl)azo] naphthalene-2-sulphonato(3-)]cobaltate(2-) is not readily biodegradable.

Key value for chemical safety assessment

Biodegradation in water:

under test conditions no biodegradation observed

Additional information

Predicted data study for target chemical Disodium [6-amino-5-[(2-hydroxy-4-nitrophenyl)azo]-N-methylnaphthalene-2-sulphonamidato(2-)][6-amino-5-[(2-hydroxy-4-nitrophenyl)azo] naphthalene-2-sulphonato(3-)]cobaltate(2-) (CAS no. 75314-27-1) and experimental studies for its structurally similar read across chemical have been reviewed for biodegradation in water endpoint and their results are summarized below.

 

In a predicted data study done by SSS 2018 the biodegradability of test chemical Disodium [6-amino-5-[(2-hydroxy-4-nitrophenyl)azo]-N-methylnaphthalene-2-sulphonamidato(2-)][6-amino-5-[(2-hydroxy-4-nitrophenyl)azo] naphthalene-2-sulphonato(3-)]cobaltate(2-) (CAS no. 75314-27-1) was estimated by using OECD QSAR tool box v3.3 by considering six closest read across chemical log Kow as primary descriptor. Percent biodegradation of the test chemical Disodium [6-amino-5-[(2-hydroxy-4-nitrophenyl)azo]-N-methylnaphthalene-2-sulphonamidato(2-)][6-amino-5-[(2-hydroxy-4-nitrophenyl)azo] naphthalene-2-sulphonato(3-)]cobaltate(2-) was estimated to be 0.66 % by considering BOD as parameter and Microorganism as inoculum in 28 days. On the basis of percent degradability value it can be concluded that test chemical Disodium [6-amino-5-[(2-hydroxy-4-nitrophenyl)azo]-N-methylnaphthalene-2-sulphonamidato(2-)][6-amino-5-[(2-hydroxy-4-nitrophenyl)azo] naphthalene-2-sulphonato(3-)]cobaltate(2-) is not readily biodegradable.

Next study was experimental study reviewed from chemosphere journal in this study the aerobic biodegradation experiment was performed for read across chemical sodium 2-anilino-5-[(2,4-dinitrophenyl)amino]benzenesulfonate CAS no. 6373 -74 -6) using activated sludge at concentration 0.5 g/L dry material as inoculums and initial concentration of chemical taken was 100 mg/L for 30 days. By considering DOC removal parameter read across chemical showed -29 % degradation in 30 days. This percentage value is very less So it is concluded that read across chemical sodium 2-anilino-5-[(2,4-dinitrophenyl)amino]benzenesulfonate is not readily biodegradable.

 

Another experimental study was reviewed from authoritative database (J check, 2018) for structurally similar read across chemical in this study the read across chemical Disodium 8-((3,3'-dimethyl-4'-(4-(4-methylphenylsulphonyloxy)phenylazo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxynaphthalene-1,3-disulphonate (CAS no. 6459 -94 -5) was subjected to biodegradation test by taking sludge as inoculums at 30 mg/L concentration. Biodegradation was analysed by using BOD and HPLC parameters. The initial concentration of read across chemical was 100 mg/L. The Study design was of standard type. After 4 weeks (28 days)the read across chemical Disodium 8-((3,3'-dimethyl-4'-(4-(4-methylphenylsulphonyloxy)phenylazo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxynaphthalene-1,3-disulphonate  showed 1.0 % biodegradability by BOD parameter and 0.0 % degradability by test material analysis by HPLC parameter  using activated sludge as inoculum in 28 days. On the basis of percent biodegradability it is concluded that read across chemical Disodium 8-((3,3'-dimethyl-4'-(4-(4-methylphenylsulphonyloxy)phenylazo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxynaphthalene-1,3-disulphonate is not readily biodegradable.

 

Last experimental study was reviewed from authoritative database (HSDB, 2017) for read across chemical in this study the read across chemical disodium 6-hydroxy-5-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate (CAS no. 2783-94-0) showed 0.0% biodegradation by considering BOD as parameter in 5 days, and by taking sewage as inoculums. On the basis of percent degradation value it is concluded that read across chemical disodium 6-hydroxy-5-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate is not readily biodegradable.

 

By considering results of all the studies mentioned above for target chemical Disodium [6-amino-5-[(2-hydroxy-4-nitrophenyl)azo]-N-methylnaphthalene-2-sulphonamidato(2-)][6-amino-5-[(2-hydroxy-4-nitrophenyl)azo] naphthalene-2-sulphonato(3-)]cobaltate(2-) (CAS no. 75314-27-1) and its structurally similar read across chemical it can be concluded that the test chemical is expected to be not readily biodegradable.