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EC number: 257-840-8 | CAS number: 52314-67-7
- 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
Endpoint summary
Administrative data
Description of key information
LD50 was estimated to be 274 mg/kg bw when rats were orally exposed with 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride.
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- 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:
- Data is predicted using OECD QSAR toolbox version 3.3 and the supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Estimation
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Test type:
- other: not specified
- Limit test:
- no
- Specific details on test material used for the study:
- - Name of test material: 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
- Molecular formula: C8H9Cl3O
- Molecular weight: 227.517
- Smiles notation: O=C([C@@H]1C(C)(C)[C@@H]1\C=C(/Cl)Cl)Cl
- InChl: 1S/C8H9Cl3O/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3
- Substance type: Organic - Species:
- rat
- Strain:
- Crj: CD(SD)
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- not specified
- Route of administration:
- oral: gavage
- Vehicle:
- corn oil
- Details on oral exposure:
- not specified
- Doses:
- 274 mg/kg bw
- No. of animals per sex per dose:
- Males, 5; females, 5
- Control animals:
- not specified
- Details on study design:
- not specified
- Statistics:
- not specified
- Preliminary study:
- not specified
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 274 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: 50 % mortality observed
- Mortality:
- not specified
- Clinical signs:
- other: not specified
- Gross pathology:
- not specified
- Other findings:
- not specified
- Interpretation of results:
- Category 3 based on GHS criteria
- Conclusions:
- LD50 was estimated to be 274 mg/kg bw when rats were orally exposed with 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride.
- Executive summary:
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride. The LD50 was estimated to be 274 mg/kg bw when rats were orally exposed with 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride.
Reference
The
prediction was based on dataset comprised from the following
descriptors: LD50
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 ("i"
and "j" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Acid Chlorides by US-EPA New
Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Acyl halide OR Alkenyl halide OR
Cycloalkane by Organic Functional groups ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acyl halide OR Alkenyl halide OR
Cycloalkane OR Overlapping groups 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 Aliphatic Carbon [-CH3] OR Carbonyl,
aliphatic attach [-C(=O)-] OR Chlorine, olefinic attach [-Cl] OR
Miscellaneous sulfide (=S) or oxide (=O) OR Olefinic carbon [=CH- or
=C<] OR Tertiary Carbon by Organic functional groups (US EPA) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Acyl chloride OR Acyl halide OR
Carbonic acid derivative OR Carboxylic acid derivative OR CO2 derivative
(general) OR Halogen derivative by Organic functional groups, Norbert
Haider (checkmol) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules by DPRA Cysteine peptide depletion
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as High reactive OR High reactive
>> alpha,beta-carbonyl compounds with polarized multiple bonds OR High
reactive >> Isothiazolinone derivatives OR Moderate reactive OR Moderate
reactive >> Mono-methacrylic acid esters by DPRA Cysteine peptide
depletion
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -2.65
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 2.97
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 274 mg/kg bw
- Quality of whole database:
- Data is Klimisch 2 and from OECD QSAR toolbox
Acute toxicity: via inhalation route
Endpoint conclusion
- Endpoint conclusion:
- no study available
Acute toxicity: via dermal route
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Acute oral toxicity:
In different studies, 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride has been investigated for acute oral toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments and estimated data in rodents, i.e. most commonly in rats for 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride along with the study available on structurally similar read across substance Chrysanthemoyl chloride (CAs no 14297-81-5). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies.
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride. The LD50 was estimated to be 274 mg/kg bw when rats were orally exposed with 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride.
In another experimental study given by U.S. National Library of Medicine (ChemIDplus A TOXNET DATABASE Lite • Browse • Advanced, 2017) on structurally similar read across substance Chrysanthemoyl chloride, mice were treated with Chrysanthemoyl chloride in the concentration of 160 mg/kg bw orally.50 % mortality observed in mice at 160 mg/kg bw. Therefore, LD50 was estimated to be 160 mg/kg bw when mice were treated with Chrysanthemoyl chloride orally.
Thus, based on the above studies and predictions on 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride and its read across substances, it can be concluded that LD50 value is less than 300 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride can be classified as category III of acute oral toxicity.
Justification for classification or non-classification
Based on the above studies and predictions on 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride and its read across substances, it can be concluded that LD50 value is less than 300 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarbonyl chloride can be classified as category III of acute oral toxicity.
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