5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one
C14H15ClO
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Identification
- CAS Number
- 131984-21-9
- EC Number
- 410-440-9
- UN Number
- 3077
- Index Number
- 606-066-00-2
- PubChem CID
- 53421021
Physical-chemical properties
- Molecular Formula
- C14H15ClO
- Molar Mass
- 234.72 g/mol
- IUPAC Name
- 5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one
Chemical Identifiers
- InChI
- InChI=1S/C14H15ClO/c1-14(2)8-7-11(13(14)16)9-10-3-5-12(15)6-4-10/h3-6,9H,7-8H2,1-2H3
- InChI Key
- DHZKFHRKOKWCKA-UHFFFAOYSA-N
Overview
5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one (CAS 131984-21-9) is an organic ketone compound featuring a chlorinated aromatic ring structure with specialized cyclopentan backbone properties. This halogenated organic compound belongs to the family of substituted cyclopentanones, characterized by its unique molecular structure combining a 4-chlorophenyl group with a dimethylcyclopentan-1-one core through a methylidene bridge. With a molecular formula of C14H15ClO and molecular weight of 234.72 g/mol, this substance exhibits distinctive chemical properties that make it valuable for various industrial applications. The compound's structural configuration includes a chlorine atom positioned on the para position of the benzene ring, which significantly influences its reactivity and chemical behavior. The presence of the chlorophenyl moiety relates it to other chlorinated aromatic compounds, sharing some chemical characteristics with substances like 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline, though with distinct applications due to its ketone functionality. From a safety perspective, this chemical is classified under GHS09 pictogram requirements due to its Aquatic Chronic 2 hazard classification, indicating potential long-term environmental effects on aquatic life. Transportation falls under ADR Class 9 miscellaneous dangerous goods, requiring appropriate handling protocols during shipping and storage. Primary industrial applications include its use as an intermediate in organic synthesis, particularly in pharmaceutical manufacturing processes and specialty chemical production. The compound also serves as a building block for developing advanced materials and custom chemical formulations where its specific structural properties are advantageous. OYSI maintains reliable supply chains for 5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one, supporting European industrial customers with consistent availability and technical expertise for specialized chemical requirements.
Safety & Classification
Aquatic Chronic 2
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Toxic to aquatic life with long lasting effects.
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
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | trans-5-[(4-Chlorphenyl)methylen]-2,2-dimethylcyclopentanon |
| Marine Pollutant | No |
Frequently Asked Questions
What is 5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one?
5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one is an organic chemical compound with the molecular formula C14H15ClO and CAS number 131984-21-9. This substance features a cyclopentanone ring structure with a chlorophenyl substituent, giving it a molecular weight of 234.72 g/mol. It is classified as having chronic aquatic toxicity (Aquatic Chronic 2) and requires specific handling precautions due to its environmental impact potential.
What are the physicochemical properties of 5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one?
5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one is a solid organic compound at room temperature with a molecular weight of 234.72 g/mol. The presence of the chlorophenyl group and ketone functionality influences its solubility characteristics and chemical reactivity. As a substituted cyclopentanone derivative, it exhibits typical properties of aromatic ketones, with the chlorine substituent affecting its polarity and intermolecular interactions.
What is 5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one used for?
5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one is primarily used as an intermediate in organic synthesis and pharmaceutical research. Its unique structural features, including the conjugated system and chlorophenyl substituent, make it valuable for developing specialized chemical compounds. The substance may also serve as a building block in the production of advanced materials or as a research chemical in academic and industrial laboratories focusing on organic chemistry applications.
How to handle 5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one safely?
5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one requires standard chemical handling precautions with particular attention to environmental protection due to its Aquatic Chronic 2 classification. Use appropriate personal protective equipment including chemical-resistant gloves, safety glasses, and laboratory coats. Work in well-ventilated areas or under fume hoods to minimize exposure. Avoid direct contact with skin and eyes, and prevent release into the environment, especially water systems.
How to store 5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one correctly?
5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one should be stored in tightly sealed containers in a cool, dry place away from direct sunlight and heat sources. Keep the substance in its original packaging with proper labeling including the GHS09 environmental hazard pictogram. Store away from incompatible materials and ensure containment measures are in place to prevent environmental release. Follow standard chemical storage protocols for organic compounds with environmental hazard classifications.
What to do in case of contact with 5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one?
In case of skin contact with 5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one, immediately wash the affected area with plenty of soap and water. For eye contact, rinse thoroughly with clean water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. Remove contaminated clothing and wash before reuse. Seek medical advice if symptoms persist or if significant exposure occurs. Prevent environmental contamination during cleanup procedures.
How to dispose of 5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one appropriately?
5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one must be disposed of through licensed hazardous waste disposal facilities due to its environmental hazard classification (Aquatic Chronic 2). Never discharge this substance into sewers, water systems, or soil. Collect waste in appropriate containers and label clearly. Contact certified waste disposal companies familiar with chemical waste regulations. Follow local and national environmental protection laws, and maintain disposal documentation for regulatory compliance.
How to transport 5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one?
5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III, indicating it requires specific transport regulations. Use appropriate packaging that meets UN specifications for Class 9 materials. Ensure proper documentation including transport documents and safety data sheets. Vehicles must carry appropriate placards and emergency equipment. Drivers should be trained in hazardous materials transport and emergency procedures for chemical spills.
Is 5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one subject to specific regulations?
5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one is subject to REACH regulation as a chemical substance distributed in Europe and must comply with CLP classification requirements showing Aquatic Chronic 2 hazard class. It is not currently listed as a Substance of Very High Concern (SVHC). Users must follow occupational health and safety regulations, environmental protection laws, and chemical transport regulations (ADR Class 9). Proper safety data sheets and hazard labeling are mandatory.
Where to buy 5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one in Europe?
5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one is available through OYSI, a specialized European distributor of technical chemicals and research compounds. OYSI provides high-quality chemical products with complete regulatory documentation, safety data sheets, and technical support. As an established chemical supplier, OYSI ensures compliance with European regulations including REACH and CLP requirements. Contact OYSI directly for availability, specifications, and technical information regarding this specialized chemical compound.
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5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-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.