1-phenylpyrazolidin-3-one
C9H10N2O
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Identification
- CAS Number
- 92-43-3
- EC Number
- 202-155-1
- UN Number
- 3077
- Index Number
- 606-022-00-2
- PubChem CID
- 7090
Physical-chemical properties
- Molecular Formula
- C9H10N2O
- Molar Mass
- 162.19 g/mol
- IUPAC Name
- 1-phenylpyrazolidin-3-one
Chemical Identifiers
- InChI
- InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
- InChI Key
- CMCWWLVWPDLCRM-UHFFFAOYSA-N
Overview
1-phenylpyrazolidin-3-one (CAS 92-43-3) is a heterocyclic organic compound featuring a pyrazolidinone ring system with phenyl substitution and moderate acute toxicity properties. This nitrogen-containing heterocyclic compound belongs to the pyrazolidinone family, characterized by a five-membered ring structure incorporating two nitrogen atoms and a ketone functionality. With the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol, 1-phenylpyrazolidin-3-one presents as a crystalline solid under standard conditions. The phenyl group attached to the nitrogen atom significantly influences both its chemical reactivity and biological activity profile. From a safety perspective, this compound is classified under GHS hazard categories Acute Tox. 4 and Aquatic Chronic 2, requiring appropriate handling precautions. The Warning signal word and associated pictograms GHS07 and GHS09 indicate moderate acute toxicity risks and environmental concerns for aquatic ecosystems. Its ADR Class 9 classification designates it as a miscellaneous dangerous substance for transportation purposes. The compound finds applications in pharmaceutical intermediate synthesis, where its pyrazolidinone core serves as a building block for various bioactive molecules. It is also utilized in specialty chemical manufacturing and research applications. Related compounds in this chemical family include 4-(4,4-dimethyl-3-oxopyrazolidin-1-yl)benzoic acid, which shares similar structural features and synthetic pathways. Industrial users appreciate 1-phenylpyrazolidin-3-one for its synthetic versatility and well-characterized reactivity profile. The compound's stability under proper storage conditions and established synthetic routes make it a reliable intermediate for custom synthesis projects. OYSI maintains strategic inventory levels of 1-phenylpyrazolidin-3-one to support our European clientele's specialized chemical requirements.
Safety & Classification
Acute Tox. 4 *; Aquatic Chronic 2
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
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 | 1-Phenyl-3-pyrazolidon |
| Marine Pollutant | No |
Frequently Asked Questions
What is 1-phenylpyrazolidin-3-one?
1-phenylpyrazolidin-3-one is an organic chemical compound with the molecular formula C9H10N2O and CAS number 92-43-3. This heterocyclic compound features a pyrazolidinone ring structure with a phenyl substituent, giving it a molecular weight of 162.19 g/mol. It belongs to the pyrazolidinone family of compounds and is classified as moderately hazardous with acute toxicity and aquatic chronic toxicity properties.
What are the physicochemical properties of 1-phenylpyrazolidin-3-one?
1-phenylpyrazolidin-3-one is a solid organic compound at room temperature with a molecular weight of 162.19 g/mol. The compound contains nitrogen and oxygen heteroatoms within its five-membered ring structure, which influences its polarity and solubility characteristics. Its physicochemical properties are typical of substituted pyrazolidinones, making it suitable for various synthetic and industrial applications where controlled reactivity is required.
What is 1-phenylpyrazolidin-3-one used for?
1-phenylpyrazolidin-3-one serves as an important intermediate in pharmaceutical synthesis and organic chemistry applications. The compound is commonly used in the development of active pharmaceutical ingredients and as a building block for more complex molecular structures. Its pyrazolidinone core makes it valuable in medicinal chemistry research, particularly for developing compounds with biological activity. Industrial applications may include specialty chemical synthesis and research purposes.
How to handle 1-phenylpyrazolidin-3-one safely?
1-phenylpyrazolidin-3-one requires careful handling due to its Acute Tox. 4 classification and Warning signal word. Operators must wear appropriate personal protective equipment including gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin and eye contact, and ensure proper hygiene practices including thorough handwashing after handling to minimize exposure risks.
How to store 1-phenylpyrazolidin-3-one correctly?
1-phenylpyrazolidin-3-one should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from heat sources and incompatible materials. The storage area must be secure and accessible only to trained personnel due to its acute toxicity classification. Keep containers properly labeled and maintain appropriate temperature conditions to preserve chemical stability and prevent degradation or hazardous decomposition.
What to do in case of contact with 1-phenylpyrazolidin-3-one?
In case of skin contact with 1-phenylpyrazolidin-3-one, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15 minutes and seek medical attention. If inhaled, move the person to fresh air and monitor breathing. In case of ingestion, do not induce vomiting and seek immediate medical attention while providing safety data sheet information.
How to dispose of 1-phenylpyrazolidin-3-one properly?
1-phenylpyrazolidin-3-one must be disposed of according to local and national hazardous waste regulations due to its acute toxicity and aquatic chronic toxicity properties. The compound requires treatment at licensed hazardous waste facilities and cannot be disposed of in regular waste streams. Contact certified waste disposal companies for proper collection and treatment. Ensure proper documentation and tracking of waste disposal to maintain regulatory compliance.
How to transport 1-phenylpyrazolidin-3-one?
1-phenylpyrazolidin-3-one is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Shipments must use UN-approved packaging and display proper hazard labels and markings. Transportation should only be conducted by qualified carriers familiar with dangerous goods handling and emergency procedures.
Is 1-phenylpyrazolidin-3-one subject to specific regulations?
1-phenylpyrazolidin-3-one is subject to REACH registration requirements in Europe and CLP classification as Acute Tox. 4 and Aquatic Chronic 2. The compound is not listed as a Substance of Very High Concern (SVHC) but requires safety data sheets and proper hazard communication. Users must comply with occupational safety regulations, environmental protection requirements, and proper classification and labeling according to GHS pictograms GHS07 and GHS09.
Where to buy 1-phenylpyrazolidin-3-one in Europe?
1-phenylpyrazolidin-3-one is available through OYSI, a European distributor of specialty chemicals serving the pharmaceutical and chemical industries. OYSI provides reliable supply chains for research institutions, pharmaceutical companies, and industrial users requiring this compound for synthesis and development projects. As an established European chemical distributor, OYSI ensures proper regulatory compliance, documentation, and safe handling throughout the supply chain for professional customers.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.