2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline
C13H16F3N3O4
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Identification
- CAS Number
- 1582-09-8
- EC Number
- 216-428-8
- UN Number
- 3077
- Index Number
- 609-046-00-1
- PubChem CID
- 5569
Physical-chemical properties
- Molecular Formula
- C13H16F3N3O4
- Molar Mass
- 335.28 g/mol
- IUPAC Name
- 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline
Chemical Identifiers
- InChI
- InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3
- InChI Key
- ZSDSQXJSNMTJDA-UHFFFAOYSA-N
Overview
2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline (CAS 1582-09-8) is a substituted aniline derivative with notable trifluoromethyl and dinitro functional groups conferring unique chemical properties. This specialized aromatic compound, also identified by EC number 216-428-8, belongs to the class of fluorinated aniline derivatives with significant industrial relevance. The molecular structure features a benzene ring substituted with two nitro groups at positions 2 and 6, a trifluoromethyl group at position 4, and N,N-dipropyl substitution on the amino group. With a molecular formula of C13H16F3N3O4 and molecular weight of 335.28 g/mol, this compound exhibits distinctive physicochemical characteristics due to the electron-withdrawing effects of both the nitro and trifluoromethyl substituents. From a safety perspective, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline requires careful handling protocols due to its classification as a Category 2 carcinogen and Category 1 skin sensitizer. The compound also presents significant environmental concerns with acute and chronic aquatic toxicity classifications, necessitating appropriate containment and disposal measures. Transportation falls under ADR Class 9 miscellaneous dangerous goods, reflecting its regulatory status for safe logistics management. Industrial applications primarily include its use as a chemical intermediate in pharmaceutical synthesis and as a specialized reagent in organic chemistry research. The compound's unique substitution pattern makes it valuable for developing agrochemical formulations, similar to how other specialized aromatic compounds like 1,4-dichlorobenzene serve as building blocks in industrial chemistry. OYSI maintains reliable supply chains for this technical-grade compound, ensuring consistent availability for European industrial customers requiring high-purity chemical intermediates.
Safety & Classification
Carc. 2; Skin Sens. 1; 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
Skin Contact
Measures if substance contacts the skin
First Aid Actions
- +P302IF ON SKIN:
- +P352Wash with plenty of water.
- +P361Take off immediately all contaminated clothing.
- +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 | Trifluralin (ISO), NPDA < 0,5 ppm |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline?
2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline is an organic chemical compound with the molecular formula C13H16F3N3O4 and CAS number 1582-09-8. This substituted aniline derivative features two nitro groups, two propyl chains attached to the nitrogen, and a trifluoromethyl group on the benzene ring. With a molecular weight of 335.28 g/mol, it is classified as a hazardous substance requiring careful handling due to its potential carcinogenic properties and environmental toxicity.
What are the physicochemical properties of 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline?
2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline is a solid organic compound at room temperature with distinctive chemical characteristics. The presence of multiple electron-withdrawing groups (nitro and trifluoromethyl) significantly affects its reactivity and stability. The compound exhibits limited water solubility due to its hydrophobic propyl chains and aromatic structure. Its physical appearance and specific properties like melting point and density depend on purity and crystalline form, requiring analytical verification for precise characterization.
What is 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline used for?
2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline is primarily used as a selective herbicide in agricultural applications, particularly for pre-emergence weed control. It acts by inhibiting photosynthesis in target plants, making it effective against various grass and broadleaf weeds. The compound is also utilized in research and development for studying plant physiology and herbicide resistance mechanisms. Its specific molecular structure allows for selective activity while minimizing impact on certain crop species when properly applied.
How to handle 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline safely?
2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline requires strict safety precautions due to its classification as a potential carcinogen and skin sensitizer. Essential protective equipment includes nitrile gloves, safety goggles, and respiratory protection in poorly ventilated areas. Work should be conducted in well-ventilated spaces or under fume hoods to prevent inhalation exposure. Avoid direct skin contact and ensure proper hygiene practices. Emergency eyewash stations and safety showers should be readily accessible during handling operations.
How to store 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline correctly?
2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. The storage area must be secure and restricted to authorized personnel due to its hazardous nature. Keep away from incompatible materials such as strong oxidizers, acids, and bases. Maintain storage temperatures below 25°C and ensure containers are properly labeled with appropriate hazard warnings and safety information.
What to do in case of contact with 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline?
Immediate action is required upon contact with 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline. For skin contact, remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. In case of eye contact, flush immediately with water for 15-20 minutes while holding eyelids open. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and rinse mouth with water. Seek immediate medical attention in all cases and provide safety data sheet information to medical personnel.
How to dispose of 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline properly?
2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline must be disposed of as hazardous waste according to local and national environmental regulations. The substance requires treatment at licensed hazardous waste facilities due to its environmental toxicity and potential carcinogenic properties. Incineration at high temperatures in approved facilities is typically the preferred disposal method. Empty containers should also be treated as hazardous waste. Never discharge into sewers, waterways, or regular waste streams, as this violates environmental protection laws.
How to transport 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline?
2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. Packages must be properly labeled with appropriate hazard markings and accompanied by transport documentation. The substance requires UN specification packaging suitable for Class 9 materials. Transport vehicles should carry appropriate emergency response information and drivers must be trained in hazardous materials handling. Compliance with international shipping regulations is mandatory for cross-border transportation.
Is 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline subject to special regulations?
2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline is subject to comprehensive regulatory oversight under REACH and CLP regulations in Europe. As a Category 2 carcinogen and skin sensitizer, it requires specific labeling with GHS pictograms GHS07, GHS08, and GHS09. The substance is also regulated under environmental protection laws due to its aquatic toxicity classification. Users must comply with occupational exposure limits, proper classification and labeling requirements, and may need authorization for certain uses depending on national implementations.
Where to buy 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline in Europe?
2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline is available through OYSI, a specialized European distributor of technical chemicals serving industrial and research customers. OYSI provides this compound with complete regulatory documentation, safety data sheets, and certificates of analysis to ensure compliance with European standards. As a hazardous substance requiring special handling, purchase is typically restricted to qualified industrial users and research institutions with appropriate safety facilities and expertise for safe handling and use.
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2,6-dinitro-N,N-dipropyl-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.