Benzylhydrazine dihydrochloride

Acute Toxicity: oral

Administrative data

Endpoint:

acute toxicity: oral

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:

25.12.2012 17:50 [R]: 1.55E3 mg/kg bw "Human Health Hazards#Acute Toxicity" for 20570-96-1

Author:

Sustainability Support Services (Europe) AB

Year:

2012

Bibliographic source:

QSAR Toolbox version 3.0

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: no information on method;OECD Guideline 401 (Acute Oral Toxicity)

Principles of method if other than guideline:

Data is predicted by QSAR toolbox version 2.3, ;Directive 92/69/EEC, B.1;Directive 92/69/EEC, B.3;OECD Guideline 402 (Acute Dermal Toxicity);EU Method B.1 (Acute Toxicity (Oral)) Cited as Directive 84/449/EEC, B.1;84/449/EWG (Official Journal)

GLP compliance:

no

Test type:

other: LD50;standard acute method;no data

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

Test animals

Species:

rat

Strain:

Wistar

Sex:

male/female

Administration / exposure

Route of administration:

oral: unspecified

Vehicle:

unchanged (no vehicle)

Control animals:

not specified

Results and discussion

Effect levels

Sex:

male/female

Dose descriptor:

LD50

Effect level:

1 545.075 mg/kg bw

Based on:

test mat.

Any other information on results incl. tables

The prediction was based on dataset comprised from the following descriptors: LD50
Estimation method: Takes average value from the 4 nearest neighbours
Domain logical expression:Result: In Domain

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

Domain logical expression index: "a"

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

Domain logical expression index: "b"

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

Domain logical expression index: "c"

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

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Acyl transfer via nucleophilic addition reaction OR Acylation >> Acyl transfer via nucleophilic addition reaction >> Isocyanates and isothiocyanates OR Acylation >> Direct acylation involving a leaving group OR Acylation >> Direct acylation involving a leaving group >> N-acylamides 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 >> Cyanoalkenes OR Michael addition >> Michael type addition on vinyl pirydines and activated ethenylarenes OR Michael addition >> Michael type addition on vinyl pirydines and activated ethenylarenes >> Vinyl pyridines 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 on benzylic carbon atom OR SN2 >> Nucleophilic substitution on benzylic carbon atom >> alpha-activated benzyls by Protein binding alerts for skin sensitization by OASIS v1.1

Domain logical expression index: "e"

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

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Biodegrades Fast by Biodeg probability (Biowin 1)

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Not classified by Oncologic Primary Classification

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Aromatic Amine Type Compounds OR Halogenated Aromatic Hydrocarbon Type Compounds OR ortho-Haloganated Heterocyclic Type Compounds OR Phenol Type Compounds by Oncologic Primary Classification

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log Kow which is >= 0.346

Domain logical expression index: "j"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.665

Applicant's summary and conclusion

Interpretation of results:

Toxicity Category IV

Remarks:

Migrated information Toxicity Category IV LD50 > 300 mg/kg and < 2000 mg/kg;Toxicity Category IV LD50 > 300 and < 2000 mg/kg;harmful;not classified Criteria used for interpretation of results: EU

Conclusions:

The acute oral median lethal dose (LD50) of Benzylhydrazine dihydrochloride in Rat Sprague-Dawley was estimated to be 1545.07 mg/kg bw.

Executive summary:

The acute oral median lethal dose (LD50) of Benzylhydrazine dihydrochloride in Rat Sprague-Dawley was estimated to be 1545.07 mg/kg bw.This value indicates that Benzylhydrazine dihydrochloride exhibits acute toxicity by the oral route in category 4.