Benzylhydrazine dihydrochloride

Short-term toxicity to aquatic invertebrates

Administrative data

Endpoint:

short-term toxicity to aquatic invertebrates

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Data source

Reference

Reference Type:

other: Predicted data

Title:

27.12.2012 17:39 [R]: 166 mg/L "Ecotoxicological Information#Aquatic Toxicity" for 20570-96-1

Author:

Sustainability Support Services (Europe) AB

Year:

2012

Bibliographic source:

QSAR Toolbox Verson 3.0

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other:

Principles of method if other than guideline:

Data is predicted by QSAR toolbox version 3.0

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

Benzylhydrazine dihydrochloride

EC Number:

243-887-1

EC Name:

Benzylhydrazine dihydrochloride

Cas Number:

20570-96-1

Molecular formula:

C7H10N2.2ClH

IUPAC Name:

benzylhydrazine dihydrochloride

Details on test material:

Substance name - Benzylhydrazine dihydrochloride
Substance type : organic
Molecular Formula: C7H10N2

SMILES:c1(CNN)ccccc1_Cl_Cl

Sampling and analysis

Analytical monitoring:

not specified

Test solutions

Vehicle:

not specified

Test organisms

Test organisms (species):

Daphnia magna

Study design

Water media type:

freshwater

Total exposure duration:

48 h

Results and discussion

Effect concentrations

Duration:

48 h

Dose descriptor:

EC50

Effect conc.:

166.429 mg/L

Nominal / measured:

estimated

Conc. based on:

test mat.

Basis for effect:

other: Intoxication

Any other information on results incl. tables

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" and ("b" and ( not "c") ) ) and "d" ) and "e" ) and ("f" and ( not "g") ) ) and ("h" and "i" ) )

Domain logical expression index: "a"

Similarity boundary:Target: c1(CNN)ccccc1_Cl_Cl
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS v1.1

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Direct acylation involving a leaving group OR Acylation >> Direct acylation involving a leaving group >> Carbamates OR Michael addition OR Michael addition >> Michael addition on conjugated systems with electron withdrawing group OR Michael addition >> Michael addition on conjugated systems with electron withdrawing group >> Nitroalkenes OR Schiff base formation OR Schiff base formation >> Schiff base formation with carbonyl compounds OR Schiff base formation >> Schiff base formation with carbonyl compounds >> Aldehydes OR SN2 OR SN2 >> Interchange reaction with sulphur containing compounds OR SN2 >> Interchange reaction with sulphur containing compounds >> Thiols and disulfide compounds OR SN2 >> Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> alpha-haloalkanes OR SN2 >> Ring opening SN2 reaction OR SN2 >> Ring opening SN2 reaction >> Isothiazolones derivatives OR SNAr OR SNAr >> Nucleophilic aromatic substitution on activated halogens OR SNAr >> Nucleophilic aromatic substitution on activated halogens >> Activated haloarenes by Protein binding by OASIS v1.1

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as No superfragment by Superfragments

Domain logical expression index: "e"

Similarity boundary:Target: c1(CNN)ccccc1_Cl_Cl
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as No alert found AND Nucleophilic addition AND Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization AND Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives AND Radical AND Radical >> Radical mechanism by ROS formation AND Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives by DNA binding by OASIS v.1.1

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Radical >> Radical mechanism by ROS formation >> Nitro Compounds OR Radical >> ROS formation after GSH depletion OR Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines OR SN1 OR SN1 >> Nitrenium and/or Carbenium ion formation OR SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives OR SN1 >> Nitrenium ion formation OR SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines OR SN1 >> Nitrenium ion formation >> Nitro Compounds OR SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation OR SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives by DNA binding by OASIS v.1.1

Domain logical expression index: "h"

Parametric boundary:The target chemical should have a value of log Kow which is >= 0.226

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.08

Applicant's summary and conclusion

Conclusions:

The effective concentration (EC50) value of Benzylhydrazine dihydrochloride in aquatic invertebrate (Daphnia Magna) in a 48 hr study on intoxication was estimated to be 166.42 mg/L.

Executive summary:

The effective concentration (EC50) value of Benzylhydrazine dihydrochloride in aquatic invertebrate (Daphnia Magna) in a 48 hr study on intoxication was estimated to be 166.42 mg/L. Thus considering CLP Criteria for aquatic classification of the substance , it is concluded that Benzylhydrazine dihydrochloride shall not exhibit short term toxicity to aquatic invertebrate (Daphnia Magna).