N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
C18H19F2N3O
Consulting for N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
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Identification
- CAS Number
- 874967-67-6
- UN Number
- 3077
- Index Number
- 616-235-00-2
- PubChem CID
- 11688533
Physical-chemical properties
- Molecular Formula
- C18H19F2N3O
- Molar Mass
- 331.40 g/mol
- IUPAC Name
- N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
Chemical Identifiers
- InChI
- InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)
- InChI Key
- XQJQCBDIXRIYRP-UHFFFAOYSA-N
Overview
N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (CAS 874967-67-6) is a specialized pyrazole-based carboxamide compound with difluoromethyl substitution and complex cyclopropyl functionality. This highly specialized organic compound represents an advanced example of heterocyclic chemistry, featuring a unique molecular architecture that combines a pyrazole ring system with distinctive structural elements. The molecule's complex structure includes dual cyclopropyl groups attached to a phenyl ring, creating a sterically demanding bicyclopropyl substituent pattern. The presence of difluoromethyl functionality at the 3-position of the pyrazole ring, combined with the carboxamide linkage, contributes to the compound's distinctive chemical properties and potential biological activity. With a molecular weight of 331.4 g/mol and formula C18H19F2N3O, this substance exhibits significant structural complexity compared to simpler carbamate derivatives such as propan-2-yl N-(3-chlorophenyl)carbamate. The compound's hazard classification includes carcinogenicity category 2 and aquatic toxicity concerns, necessitating appropriate handling protocols under GHS08 and GHS09 pictogram guidelines. As a class 9 ADR substance, it requires specialized transport considerations for safe distribution. Primary industrial applications include advanced pharmaceutical intermediate synthesis, specialized agrochemical development, and research applications in medicinal chemistry. The compound's unique structural features make it particularly valuable for structure-activity relationship studies and as a building block for complex molecular architectures in drug discovery programs. OYSI maintains strategic inventory of this specialized pyrazole carboxamide to support European research and industrial development requirements.
Safety & Classification
Carc. 2; Aquatic Acute 1; 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
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Sedaxan |
| Marine Pollutant | No |
Frequently Asked Questions
What is N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is a synthetic organic compound with the molecular formula C18H19F2N3O and CAS number 874967-67-6. This complex molecule features a pyrazole ring system with difluoromethyl substitution and a unique bicyclopropyl-phenyl structure. With a molecular weight of 331.4 g/mol, it represents an advanced synthetic chemical typically used in specialized industrial applications requiring precise molecular design.
What are the physicochemical properties of N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
This compound is a solid organic substance at room temperature due to its complex aromatic structure and molecular weight of 331.4 g/mol. The presence of fluorine atoms and the carboxamide functional group influence its polarity and potential solubility characteristics. The bicyclopropyl and pyrazole ring systems contribute to its structural rigidity. Specific physical properties such as melting point, solubility, and appearance would require detailed analytical characterization for precise determination.
What is N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide used for?
This compound serves as a specialized chemical intermediate or active ingredient in advanced synthetic chemistry applications. Its complex structure, featuring difluoromethyl and bicyclopropyl groups, suggests use in pharmaceutical research, agrochemical development, or specialized materials science. The precise molecular architecture makes it valuable for applications requiring specific binding properties or biological activity. Professional users typically employ it in research and development, chemical synthesis, or as a building block for more complex molecules.
How to handle N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide safely?
This substance requires careful handling due to its Category 2 carcinogen classification and aquatic toxicity. Operators must wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection when necessary. Work should be conducted in well-ventilated areas or under fume extraction systems. Avoid skin and eye contact, inhalation, and ingestion. The GHS08 pictogram indicates potential health hazards, while GHS09 warns of environmental dangers requiring controlled handling procedures.
How to store N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide correctly?
This compound should be stored in a cool, dry, well-ventilated area away from incompatible materials and ignition sources. Given its aquatic toxicity classification, storage areas must be designed to prevent environmental release through appropriate containment measures. Keep containers tightly closed and properly labeled according to CLP regulations. Storage facilities should comply with local chemical storage regulations, and access should be restricted to trained personnel only to minimize exposure risks.
What to do in case of contact with N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
Immediate action is required due to the compound's carcinogenic potential. For skin contact, remove contaminated clothing and wash affected areas thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult safety data sheets for specific first aid measures and contact emergency services if necessary.
How to dispose of N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide appropriately?
This substance requires disposal through licensed hazardous waste management facilities due to its carcinogenic classification and aquatic toxicity. It cannot be disposed of through normal waste streams or sewage systems given its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 2). Contact authorized waste disposal companies specializing in hazardous chemical waste. Maintain proper documentation throughout the disposal process and ensure compliance with local environmental regulations and waste management directives.
How to transport N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
This substance is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. It requires appropriate UN-approved packaging and proper hazardous goods documentation including transport documents and emergency response information. Vehicles must display appropriate placarding and drivers need ADR certification. The lower risk Packing Group III classification allows for somewhat relaxed packaging requirements compared to higher risk substances, but full regulatory compliance remains mandatory for safe legal transport.
Is N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide subject to specific regulations?
This substance is subject to comprehensive European chemical regulations including REACH registration requirements and CLP classification obligations. Its Category 2 carcinogen status subjects it to strict workplace exposure controls and labeling requirements. The compound is not currently listed as a Substance of Very High Concern (SVHC), but its hazard profile requires compliance with occupational health regulations. Users must maintain safety data sheets, implement appropriate risk management measures, and ensure proper classification and labeling throughout the supply chain.
Where to buy N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide in Europe?
OYSI serves as a specialized European distributor for this advanced chemical compound, providing reliable supply to research institutions and industrial customers across Europe. As a professional chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for hazardous substances like this carcinogenic compound. Contact OYSI directly for availability, technical specifications, and pricing information. Professional customers can rely on OYSI's expertise in hazardous chemical logistics and regulatory requirements for safe, compliant delivery throughout European markets.
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N-[2-(2-cyclopropylcyclopropyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide 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.