5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one

C14H15ClO

CAS131984-21-9
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt

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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 compound featuring a cyclopentan-1-one core structure with chlorophenyl substitution and demonstrates moderate aquatic toxicity concerns. This specialized organic intermediate belongs to the family of substituted cyclopentenones, characterized by its distinctive molecular structure combining a five-membered ketone ring with a chlorinated aromatic substituent. With a molecular formula of C14H15ClO and molecular weight of 234.72 g/mol, this compound exhibits unique chemical properties that make it valuable in various synthetic applications. The presence of the 4-chlorophenyl group attached via a methylidene bridge to the dimethyl-substituted cyclopentanone core provides specific reactivity patterns essential for targeted chemical transformations. From a safety perspective, this compound is classified under GHS pictogram GHS09, indicating environmental hazards, specifically Aquatic Chronic 2 toxicity classification. This designation requires careful handling procedures to prevent environmental contamination, particularly in aquatic systems. Transportation falls under ADR Class 9 (miscellaneous dangerous substances), necessitating appropriate packaging and documentation protocols for safe logistics operations. Industrial applications typically include use as a synthetic intermediate in pharmaceutical research, specialty chemical manufacturing, and advanced materials development. The compound's structural similarity to other chlorinated aromatic derivatives, such as 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline, suggests potential applications in developing complex molecular architectures where chlorophenyl functionality provides specific binding or reactivity characteristics. Quality control laboratories also utilize this compound for analytical reference standards and method development purposes. The unique spectroscopic signature of the conjugated system makes it particularly useful in analytical chemistry applications. OYSI maintains reliable supply chains for 5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one, ensuring consistent availability for European industrial customers requiring this specialized chemical intermediate.

Safety & Classification

Classification:

Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H411

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Nametrans-5-[(4-Chlorphenyl)methylen]-2,2-dimethylcyclopentanon
Marine PollutantNo

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 system with a chlorophenyl substituent and has a molecular weight of 234.72 g/mol. It is classified as having chronic aquatic toxicity (Aquatic Chronic 2) and requires environmental precautions during handling and disposal.

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 compound contains a ketone functional group and an aromatic chlorine substituent, which influences its chemical reactivity and physical properties. Due to its organic structure with both polar and nonpolar regions, it likely exhibits limited water solubility but good solubility in organic solvents.

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 a chemical intermediate in organic synthesis and pharmaceutical research. Its structural features, including the conjugated system and ketone functionality, make it valuable for developing more complex molecules through various chemical transformations. The compound may also serve as a building block in the synthesis of specialty chemicals and research compounds in laboratory settings.

How to safely handle 5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one?

Safe handling of 5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one requires standard laboratory personal protective equipment including safety glasses, gloves, and laboratory coat. Work should be conducted in a well-ventilated area or under a fume hood to prevent inhalation. Given its Aquatic Chronic 2 classification, special attention must be paid to preventing environmental release. Always follow good laboratory practices and consult the safety data sheet before use.

How to properly store 5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one?

5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one should be stored in a cool, dry place away from direct sunlight and heat sources. Keep containers tightly closed to prevent moisture absorption and contamination. Store away from incompatible materials such as strong oxidizing agents. Due to its environmental hazard classification, ensure storage areas have appropriate containment measures to prevent accidental release into the environment. Regular inspection of containers is recommended.

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 soap and water for at least 15 minutes. For eye contact, rinse thoroughly with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek medical attention immediately. Always consult the safety data sheet for specific first aid measures.

How to properly dispose of 5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one?

Disposal of 5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one must be conducted through authorized waste disposal companies due to its Aquatic Chronic 2 classification. Never dispose of this substance down drains or into the environment. Contact licensed hazardous waste disposal contractors who can handle organic chemical waste appropriately. Ensure all local and national environmental regulations are followed, and maintain proper documentation of disposal activities for regulatory compliance.

How to transport 5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one?

Transportation of 5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one falls under ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods transport regulations. Packages must be properly marked with the substance name, UN number, and environmental hazard labels. Ensure compliance with all applicable transport regulations and use certified packaging materials suitable for Class 9 substances.

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 standard chemical regulations including REACH registration requirements in Europe and CLP classification obligations. The substance is not currently listed as a Substance of Very High Concern (SVHC). Its Aquatic Chronic 2 classification means it must comply with environmental protection measures and waste disposal regulations. Users must ensure proper risk assessment, safety data sheet provision, and environmental impact considerations in accordance with applicable chemical legislation.

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 reliable supply chains for laboratory and industrial customers across Europe, ensuring compliance with all regulatory requirements including REACH registration and proper documentation. Contact OYSI directly for availability, technical specifications, and delivery options to your location within Europe for your specific research or industrial applications.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.