3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
C12H10Cl2F3NO
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Identification
- CAS Number
- 61213-25-0
- EC Number
- 262-661-3
- UN Number
- 3077
- Index Number
- 613-334-00-2
- PubChem CID
- 91677
Physical-chemical properties
- Molecular Formula
- C12H10Cl2F3NO
- Molar Mass
- 312.11 g/mol
- IUPAC Name
- 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
Chemical Identifiers
- InChI
- InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2
- InChI Key
- OQZCSNDVOWYALR-UHFFFAOYSA-N
Overview
3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CAS 61213-25-0) is an organofluorine pyrrolidinone derivative featuring multiple halogen substituents and significant biological activity. This specialized chemical compound represents a complex heterocyclic molecule containing both chlorine and trifluoromethyl functional groups, which contribute to its unique reactivity profile and biological properties. With a molecular formula of C12H10Cl2F3NO and molecular weight of 312.11 g/mol, this pyrrolidin-2-one derivative exhibits characteristic properties associated with halogenated organic compounds. The presence of the trifluoromethyl group on the phenyl ring enhances the compound's lipophilicity and metabolic stability, while the chloromethyl substituent provides reactive sites for further chemical transformations. The compound carries significant safety considerations, classified under GHS pictograms GHS08, GHS07, and GHS09, indicating reproductive toxicity (Repr. 1B), acute toxicity (Acute Tox. 4), skin sensitization potential (Skin Sens. 1), and aquatic toxicity (Aquatic Acute 1; Aquatic Chronic 1). These classifications necessitate careful handling protocols and appropriate personal protective equipment during use. The ADR Class 9 designation requires specific transportation and storage considerations for this miscellaneous dangerous substance. Primary industrial applications include pharmaceutical intermediate synthesis, where its unique structural features make it valuable for developing bioactive compounds, agrochemical manufacturing as a building block for pesticide synthesis, and specialized organic synthesis requiring halogenated pyrrolidinone scaffolds. The compound shares structural similarities with other halogenated aromatics like 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline, both featuring chlorinated aromatic systems used in pharmaceutical applications. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for European industrial customers requiring high-quality halogenated organic intermediates.
Safety & Classification
Repr. 1B; Acute Tox. 4; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Skin Contact
Measures if substance contacts the skin
First Aid Actions
- +P302IF ON SKIN:
- +P352Wash with plenty of water.
- +P361Take off immediately all contaminated clothing.
- +P313Get medical advice/attention.
Related hazard statements:
Ingestion
Measures if substance is accidentally swallowed
First Aid Actions
- +P301IF SWALLOWED:
- +P330Rinse mouth.
- +P331Do NOT induce vomiting.
- +P310Immediately call a POISON CENTER/doctor.
Related hazard statements:
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Flurochloridon (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is an organofluorine compound with CAS number 61213-25-0 and molecular formula C12H10Cl2F3NO. This pyrrolidinone derivative contains chlorine and trifluoromethyl functional groups, giving it a molecular weight of 312.11 g/mol. It is classified as a hazardous substance with reproductive toxicity, acute toxicity, and environmental hazard properties requiring careful handling and regulatory compliance.
What are the physicochemical properties of 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 312.11 g/mol and contains multiple halogen atoms including chlorine and fluorine substituents. The presence of trifluoromethyl and chloromethyl groups typically confers low volatility and potential lipophilicity. As with most halogenated organic compounds, it likely exhibits limited water solubility but good solubility in organic solvents. Specific physical properties should be confirmed through technical data sheets.
What is 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one used for?
3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is typically used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its pyrrolidinone structure with halogenated substituents makes it valuable for creating complex molecular frameworks in medicinal chemistry. The compound may serve as a building block for developing bioactive molecules, particularly those requiring fluorinated or chlorinated functional groups. Industrial applications are generally limited to specialized chemical manufacturing processes.
How to safely handle 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
Safe handling of 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its skin sensitization properties. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and never eat, drink, or smoke while handling. Wash hands thoroughly after use and ensure emergency eyewash and shower facilities are readily accessible.
How should 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one be stored properly?
3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers upright and properly labeled with hazard information. Store separately from incompatible materials including strong oxidizers, bases, and reactive metals. Ensure storage areas have appropriate containment measures and are accessible only to trained personnel. Regular inventory checks help maintain container integrity and prevent degradation.
What to do in case of contact with 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
In case of skin contact with 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one, immediately remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. For eye contact, flush with clean water for 15-20 minutes while holding eyelids open. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Always contact emergency services if symptoms develop or persist after exposure.
How to properly dispose of 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one must be disposed of through licensed hazardous waste contractors due to its environmental hazard classification and potential ecotoxicity. Never dispose of in regular waste streams, sewers, or soil. The waste requires classification under appropriate waste codes and may need special treatment due to halogen content. Contact authorized waste management companies for proper collection, treatment, and disposal according to local and EU waste regulations.
How to transport 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transport purposes. This classification requires appropriate packaging, labeling, and documentation during shipping. Packages must display proper hazard labels and shipping names. Transport should be conducted by qualified carriers familiar with dangerous goods regulations. Ensure proper segregation from incompatible materials and comply with quantity limitations for different transport modes.
Is 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one subject to specific regulations?
3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is subject to EU REACH registration requirements and CLP classification as Repr. 1B, Acute Tox. 4, Skin Sens. 1, and environmental hazard categories. While not currently listed as an SVHC, its reproductive toxicity classification requires strict handling protocols. Companies must maintain safety data sheets, conduct risk assessments, and implement appropriate risk management measures. Import/export may require additional documentation depending on destination country regulations.
Where to buy 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one in Europe?
3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is available through OYSI, a leading European distributor of specialty chemicals. As an established supplier, OYSI provides technical support, proper documentation, and regulatory compliance assistance for this specialized compound. Contact OYSI directly for availability, technical specifications, and pricing information. Given the compound's hazardous nature, purchase requires appropriate business credentials and demonstrated capability for safe handling and use.
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3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.