N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline
C14H16F3N3O4
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Identification
- CAS Number
- 26399-36-0
- UN Number
- 3077
- Index Number
- 613-059-00-8
- PubChem CID
- 33500
Physical-chemical properties
- Molecular Formula
- C14H16F3N3O4
- Molar Mass
- 347.29 g/mol
- IUPAC Name
- N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline
Chemical Identifiers
- InChI
- InChI=1S/C14H16F3N3O4/c1-2-5-18(8-9-3-4-9)13-11(19(21)22)6-10(14(15,16)17)7-12(13)20(23)24/h6-7,9H,2-5,8H2,1H3
- InChI Key
- ITVQAKZNYJEWKS-UHFFFAOYSA-N
Overview
N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline (CAS 26399-36-0) is a specialized aromatic amine compound with distinctive trifluoromethyl and dinitro functional groups that confer unique chemical properties. This technical chemical compound features a complex molecular structure with a molecular formula of C14H16F3N3O4 and a molecular weight of 347.29 g/mol. The presence of both electron-withdrawing dinitro groups at the 2,6-positions and a trifluoromethyl substituent at the 4-position of the aniline ring creates a highly functionalized aromatic system. The N-cyclopropylmethyl and N-propyl substituents on the amino nitrogen further enhance its structural complexity and potential reactivity profiles. From a safety perspective, this compound requires careful handling as it presents moderate hazards including eye irritation (Eye Irrit. 2) and significant environmental concerns with acute and chronic aquatic toxicity (Aquatic Acute 1; Aquatic Chronic 1). The GHS07 and GHS09 pictogrammes indicate both health and environmental hazards, while the ADR class 9 classification designates it as a miscellaneous dangerous substance for transport purposes. Industrial applications typically involve its use as an intermediate in agrochemical synthesis, particularly in herbicide manufacturing where its dinitroaniline structure provides herbicidal activity. The compound also finds application in specialty pharmaceutical synthesis and as a building block for advanced materials chemistry. Unlike simpler compounds such as triphenyl phosphite, this specialized aniline derivative offers unique reactivity patterns due to its multiple functional groups. OYSI provides reliable access to N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline with comprehensive technical support and regulatory documentation for European industrial customers.
Safety & Classification
Eye Irrit. 2; 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
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +P313Get medical advice/attention.
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 | Profluralin (ISO), fest |
| Marine Pollutant | No |
Frequently Asked Questions
What is N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline?
N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline is a synthetic organic compound with the molecular formula C14H16F3N3O4 and CAS number 26399-36-0. This chemical features a complex aniline structure with cyclopropylmethyl, propyl, dinitro, and trifluoromethyl substituents. With a molecular weight of 347.29 g/mol, it is classified as an eye irritant and presents environmental hazards to aquatic life, requiring careful handling and proper safety measures during use.
What are the physicochemical properties of N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline?
N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline is a fluorinated aromatic compound with significant structural complexity. The presence of trifluoromethyl groups typically imparts high chemical stability and low volatility. The dinitro substitution pattern contributes to its distinctive properties and potential reactivity. Due to its aromatic aniline structure combined with fluorinated and nitro groups, it likely exhibits limited water solubility but good solubility in organic solvents. Specific physical properties should be confirmed through technical data sheets.
What is N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline used for?
N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its complex structure with multiple functional groups makes it valuable for developing specialized compounds requiring precise molecular architecture. The trifluoromethyl and dinitro groups provide unique reactivity patterns useful in advanced organic synthesis. Industrial applications may include research and development in fine chemicals, custom synthesis, and as a building block for more complex molecular structures in specialized chemical manufacturing.
How to handle N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline safely?
N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline requires careful handling due to its eye irritation properties. Essential protective equipment includes safety goggles, chemical-resistant gloves, and protective clothing to prevent skin and eye contact. Work in well-ventilated areas or under fume hoods to minimize inhalation exposure. Avoid generating dust or vapors, and ensure proper grounding when transferring the material. Follow good laboratory practices, wash hands thoroughly after handling, and have emergency eyewash stations readily available.
How to store N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline correctly?
N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline should be stored in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers tightly sealed to prevent moisture absorption and contamination. Due to its environmental hazard classification, ensure secondary containment to prevent environmental release. Store away from incompatible materials such as strong oxidizers, reducing agents, and bases. Maintain proper inventory records and inspect containers regularly for signs of deterioration or leakage.
What to do in case of contact with N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline?
Eye contact with N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline requires immediate irrigation with clean water for at least 15 minutes, holding eyelids open. For skin contact, wash thoroughly with soap and water. If inhaled, move to fresh air immediately. Remove contaminated clothing and wash before reuse. Do not induce vomiting if ingested; rinse mouth and seek medical attention. In all cases of significant exposure, contact emergency medical services and provide the safety data sheet to healthcare providers.
How to dispose of N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline properly?
N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline must be disposed of as hazardous waste due to its environmental classification. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never discharge into sewers, waterways, or soil due to its aquatic toxicity. Contaminated packaging should also be treated as hazardous waste. Follow local, national, and European waste regulations including the Waste Framework Directive. Maintain proper documentation for waste tracking and ensure compliance with REACH and CLP disposal requirements.
How to transport N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline?
N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III. Transportation requires appropriate UN-approved packaging, proper labeling with Class 9 hazard labels, and shipping documentation including dangerous goods declarations. Vehicles must carry appropriate emergency equipment and drivers need proper training certification. Ensure packages are secure, properly marked, and include emergency contact information. Follow ADR regulations for quantity limitations, segregation requirements, and route restrictions when applicable.
Is N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline subject to specific regulations?
N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline is subject to REACH registration requirements for manufacture or import above 1 tonne annually. It must comply with CLP classification and labeling regulations, displaying GHS07 and GHS09 pictograms with 'Warning' signal word. The substance is not currently listed as SVHC (Substance of Very High Concern). Environmental regulations apply due to its aquatic toxicity classification. Companies must maintain safety data sheets, conduct risk assessments, and implement appropriate risk management measures throughout the supply chain.
Where to buy N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline in Europe?
N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides reliable supply chains for research institutions, pharmaceutical companies, and chemical manufacturers requiring this specialized compound. As a professional chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance throughout the supply process. Contact OYSI directly for availability, technical specifications, regulatory documentation, and delivery options across European markets. Proper licensing and end-use documentation may be required for purchase.
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N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline 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.