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EC number: 230-660-7 | CAS number: 7250-67-1
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Toxicity to microorganisms
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to microorganisms
- 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:
- other: Refer below principle
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3 with log kow as the primary discriptors.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): 1-(2-chloroethyl)pyrrolidine hydrochloride
- Molecular formula (if other than submission substance): C6H12ClN.ClH
- Molecular weight (if other than submission substance): 170.082 g/mol
- Smiles notation (if other than submission substance): N1(CCCl)CCCC1.CI
- InChI: 1S/C6H12ClN.ClH/c7-3-6-8-4-1-2-5-8;/h1-6H2;1H
- Substance type: Organic
- Physical state: Solid - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Tetrahymena pyriformis
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Hardness:
- No data
- Test temperature:
- 26 deg.C
- pH:
- 6.9-7.1
- Dissolved oxygen:
- No data
- Salinity:
- No data
- Conductivity:
- No data
- Nominal and measured concentrations:
- No data
- Details on test conditions:
- No data
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 48 h
- Dose descriptor:
- other: IGC50
- Effect conc.:
- 214.11 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- growth inhibition
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The toxicity to micro organism of the substance 1-(2-chloroethyl)pyrrolidine hydrochloride (Cas no. 7250-67-1) to micro organism Tetrahymena pyriformis is predicted using QSAR toolbox version.3.3, based on the effects observed in a static freshwater system during a 48 hr exposure. The Inhibition growth concentration (IGC50) for the substance 1-(2-chloroethyl)pyrrolidine hydrochloride is estimated to be 214.11 mg/L.
- Executive summary:
The toxicity to micro organism of the substance 1-(2-chloroethyl)pyrrolidine hydrochloride (Cas no. 7250-67-1) to micro organism Tetrahymena pyriformis is predicted using QSAR toolbox version.3.3, based on the effects observed in a static freshwater system during a 48 hr exposure. The Inhibition growth concentration (IGC50) for the substance 1-(2-chloroethyl)pyrrolidine hydrochloride is estimated to be 214.11 mg/L. Based on this value, it can be concluded that the test chemical 1-(2-chloroethyl)pyrrolidine hydrochloride (Cas no. 7250-67-1) may have no concern to micro organism toxicity for acute exposure period.
Reference
The
prediction was based on dataset comprised from the following
descriptors: IGC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((("a"
or "b" or "c" or "d" or "e" )
and ("f"
and (
not "g")
)
)
and ("h"
and (
not "i")
)
)
and "j" )
and ("k"
and "l" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aliphatic Amines AND Not
categorized by US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Alkyl halide OR No functional
group found OR Pyrrolidine OR Saturated heterocyclic amine OR Saturated
heterocyclic fragment by Organic Functional groups ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Alkyl halide OR No functional
group found OR Overlapping groups OR Pyrrolidine OR Saturated
heterocyclic amine OR Saturated heterocyclic fragment by Organic
Functional groups (nested) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] OR
Aliphatic Carbon [-CH2-] OR Amino, aliphatic attach [-N<] OR Chlorine,
aliphatic attach [-Cl] OR No functional group found by Organic
functional groups (US EPA) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Alkyl chloride OR Alkyl halide
OR Amine OR Halogen derivative OR Heterocyclic compound OR No functional
group found OR Tertiary aliphatic amine OR Tertiary amine by Organic
functional groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as No alert found AND SN2 AND SN2
>> Alkylation, direct acting epoxides and related after cyclization AND
SN2 >> Alkylation, direct acting epoxides and related after cyclization
>> Nitrogen Mustards by DNA binding by OASIS v.1.3
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition, quinoid structures OR AN2 >> Michael-type addition, quinoid
structures >> Quinoneimines OR AN2 >> Michael-type addition, quinoid
structures >> Quinones OR AN2 >> Nucleophilic addition to alpha,
beta-unsaturated carbonyl compounds OR AN2 >> Nucleophilic addition to
alpha, beta-unsaturated carbonyl compounds >> alpha, beta-Unsaturated
Aldehydes OR AN2 >> Schiff base formation OR AN2 >> Schiff base
formation >> alpha, beta-Unsaturated Aldehydes OR AN2 >> Schiff base
formation >> Dicarbonyl compounds OR Non-covalent interaction OR
Non-covalent interaction >> DNA intercalation OR Non-covalent
interaction >> DNA intercalation >> Quinones OR Radical OR Radical >>
Radical mechanism via ROS formation (indirect) OR Radical >> Radical
mechanism via ROS formation (indirect) >> C-Nitroso Compounds OR Radical
>> Radical mechanism via ROS formation (indirect) >> Quinones OR Radical
>> ROS formation after GSH depletion (indirect) OR Radical >> ROS
formation after GSH depletion (indirect) >> Quinoneimines OR SN1 OR SN1
>> Nucleophilic substitution after glutathione-induced nitrenium ion
formation OR SN1 >> Nucleophilic substitution after glutathione-induced
nitrenium ion formation >> C-Nitroso Compounds OR SN2 >> DNA alkylation
OR SN2 >> DNA alkylation >> Vicinal Dihaloalkanes OR SN2 >> Internal SN2
reaction with aziridinium and/or cyclic sulfonium ion formation
(enzymatic) OR SN2 >> Internal SN2 reaction with aziridinium and/or
cyclic sulfonium ion formation (enzymatic) >> Vicinal Dihaloalkanes by
DNA binding by OASIS v.1.3
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as No alert found AND SN1 AND SN1
>> Iminium Ion Formation AND SN1 >> Iminium Ion Formation >> Aliphatic
tertiary amines AND SN2 AND SN2 >> Episulfonium Ion Formation AND SN2 >>
Episulfonium Ion Formation >> Mustards by DNA binding by OECD
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> P450
Mediated Activation to Isocyanates or Isothiocyanates OR Acylation >>
P450 Mediated Activation to Isocyanates or Isothiocyanates >>
Benzylamines-Acylation OR Michael addition OR Michael addition >> P450
Mediated Activation to Quinones and Quinone-type Chemicals OR Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals >> Hydroquinones OR Michael addition >> Polarised
Alkenes-Michael addition OR Michael addition >> Polarised
Alkenes-Michael addition >> Alpha, beta- unsaturated ketones OR Schiff
base formers OR Schiff base formers >> Chemicals Activated by P450 to
Mono-aldehydes OR Schiff base formers >> Chemicals Activated by P450 to
Mono-aldehydes >> Benzylamines-Schiff base OR SN2 >> SN2 at an sp3
Carbon atom OR SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides by
DNA binding by OECD
Domain
logical expression index: "j"
Similarity
boundary:Target:
Cl_ClCCN1CCCC1
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "k"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -0.262
Domain
logical expression index: "l"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.37
Description of key information
The toxicity to micro organism of the substance 1-(2-chloroethyl)pyrrolidine hydrochloride (Cas no. 7250-67-1) to micro organism Tetrahymena pyriformis is predicted using QSAR toolbox version.3.3, based on the effects observed in a static freshwater system during a 48 hr exposure. The Inhibition growth concentration (IGC50) for the substance 1-(2-chloroethyl)pyrrolidine hydrochloride is estimated to be 214.11 mg/L. Based on this value, it can be concluded that the test chemical 1-(2-chloroethyl)pyrrolidine hydrochloride (Cas no. 7250-67-1) may have no concern to micro organism toxicity for acute exposure period.
Key value for chemical safety assessment
Additional information
Three studies which includes reliable predicted data and experimental results from authorative database for micro organism toxicity of test chemical 1-(2-chloroethyl)pyrrolidine hydrochloride (Cas no. 7250-67-1) with relevant read across which is structurally similar to target were summarized as follows:
First prediction done using QSAR toolbox version.3.3 which indicate the toxicity to micro organism of the substance 1-(2-chloroethyl)pyrrolidine hydrochloride (Cas no. 7250-67-1) to micro organism Tetrahymena pyriformis is predicted based on the effects observed in a static freshwater system during a 48 hr exposure. The Inhibition growth concentration (IGC50) for the substance 1-(2-chloroethyl)pyrrolidine hydrochloride is estimated to be 214.11 mg/L. Based on this value, it can be concluded that the test chemical 1-(2-chloroethyl)pyrrolidine hydrochloride (Cas no. 7250-67-1) may have no concern to micro organism toxicity for acute exposure period.
Above result assist by experimental data of read across 4-methylpent-3-en-2-one (Cas no. 141-79-7) suggest Inhibition concentration to 50% of test organisms (IGC50) for the substance 4-methylpent-3-en-2-one (CAS no. 141-79-7) was determine to be 4.403 mM which is equivalent to 431 mg/l on micro organism species Tetrahymena pyriformis (Ciliate) on the basis of effect on Population growth rate in static fresh water.(ECOTOX DATABASE;2017)
And another read across chemical 3-Hexyn-2-one (Cas no. 1679-36-3) from same data source i.e ECOTOX database; 2017 indicate Inhibition concentration to 50% of test organisms (IGC50) for the substance 3-Hexyn-2-one (CAS no. 1679-36-3) was determine to be 0.055 mM which is equivalent to 5.2 mg/l on micro organism species Tetrahymena pyriformis (Ciliate) on the basis of effect on Population growth rate in static fresh water.
All available studies give the Inhibition concentration to 50% of test organisms (IGC50) is in the range of 5.2-431 mg/l which indicate the test chemical 1-(2-chloroethyl)pyrrolidine hydrochloride (Cas no. 7250-67-1) may have no concern to micro organism toxicity for acute exposure period.
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