N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
C13H16F3N3O4
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Identification
- CAS Number
- 1861-40-1
- EC Number
- 217-465-2
- UN Number
- 3077
- Index Number
- 612-295-00-9
- PubChem CID
- 2319
Physical-chemical properties
- Molecular Formula
- C13H16F3N3O4
- Molar Mass
- 335.28 g/mol
- IUPAC Name
- N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
Chemical Identifiers
- InChI
- InChI=1S/C13H16F3N3O4/c1-3-5-6-17(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
- SMDHCQAYESWHAE-UHFFFAOYSA-N
Overview
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline (CAS 1861-40-1) is a substituted aromatic amine featuring trifluoromethyl and dinitro functional groups with specialized industrial applications. This synthetic organic compound, with the molecular formula C13H16F3N3O4 and molecular weight of 335.28 g/mol, represents a complex aniline derivative characterized by multiple electron-withdrawing substituents. The presence of both dinitro groups and a trifluoromethyl moiety significantly influences its chemical reactivity and physical properties, making it valuable for specific industrial processes requiring compounds with unique electronic characteristics. The substance exhibits significant safety considerations, classified under GHS with pictograms GHS08, GHS07, and GHS09, indicating potential carcinogenic and reproductive toxicity concerns (Carc. 2; Repr. 2), along with skin and eye irritation properties. Environmental hazard classifications (Aquatic Acute 1; Aquatic Chronic 1) necessitate careful handling and disposal protocols. Transportation falls under ADR Class 9, requiring appropriate hazardous material handling procedures. Industrial applications primarily focus on specialized chemical synthesis processes where the compound's unique substitution pattern provides specific reactivity profiles. It serves as an intermediate in the production of advanced materials and specialty chemicals, particularly in formulations requiring precise electronic properties. Unlike related compounds such as 6-amino-N-methylnaphthalene-2-sulfonamide, this trifluoromethyl-substituted aniline offers distinct advantages in applications demanding enhanced chemical stability and specific molecular interactions. The compound finds utility in research and development applications, particularly in pharmaceutical intermediates and agrochemical synthesis, where its complex structure enables the formation of sophisticated molecular architectures. OYSI provides N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline to European industrial customers with comprehensive technical support and regulatory documentation.
Safety & Classification
Carc. 2; Repr. 2; Skin Irrit. 2; Eye Irrit. 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
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 | Benfluralin (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline?
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline is an organic chemical compound with the molecular formula C13H16F3N3O4 and CAS number 1861-40-1. This substituted aniline derivative contains trifluoromethyl and dinitro functional groups along with butyl and ethyl substituents on the nitrogen atom. With a molecular weight of 335.28 g/mol, it is classified as a hazardous substance requiring careful handling due to its potential carcinogenic and reproductive toxicity properties.
What are the physicochemical properties of N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline?
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline is a chemical compound with a molecular weight of 335.28 g/mol and the formula C13H16F3N3O4. The presence of trifluoromethyl groups typically imparts lipophilic characteristics, while the dinitro groups contribute to its chemical reactivity. The compound's physical state, color, and solubility properties are influenced by its aromatic structure and multiple functional groups, making it suitable for specific industrial applications requiring these particular chemical characteristics.
What is N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline used for?
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline is primarily used as a chemical intermediate in industrial synthesis processes. Its unique structure with trifluoromethyl and dinitro substituents makes it valuable for pharmaceutical research, agrochemical development, and specialty chemical manufacturing. The compound serves as a building block for more complex molecules in organic synthesis, particularly in applications requiring specific electronic and steric properties provided by its functional groups.
How to handle N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline safely?
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline requires strict safety precautions due to its carcinogenic and skin sensitizing properties. Essential protective equipment includes chemical-resistant gloves, safety goggles, and appropriate respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid direct skin contact and ensure proper training on handling procedures. The compound carries GHS pictograms GHS08, GHS07, and GHS09, indicating health, irritation, and environmental hazards requiring careful attention.
How to store N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline correctly?
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Use original containers or appropriate chemical-resistant containers with proper labeling. Storage areas must be secure and accessible only to trained personnel due to the compound's carcinogenic classification. Implement spill containment measures and maintain appropriate fire suppression systems. Keep away from oxidizing agents and ensure compliance with local regulations for storing hazardous chemicals.
What to do in case of contact with N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline?
Immediate decontamination is essential following contact with N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline. 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 15-20 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Seek medical attention for all exposures, especially given the compound's carcinogenic and sensitizing properties. Never induce vomiting if accidentally ingested.
How to dispose of N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline appropriately?
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline must be disposed of as hazardous waste through licensed waste management companies specializing in chemical disposal. Due to its carcinogenic properties and environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), incineration at high temperatures in authorized facilities is typically required. Never dispose of this substance through regular waste streams or pour down drains. Consult local environmental regulations and maintain proper documentation of disposal procedures for compliance purposes.
How to transport N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline?
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline 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 international dangerous goods regulations. Vehicles must display proper hazard placards, and drivers need ADR certification. Packaging must meet UN specification requirements and include proper shipping names and identification numbers. Transport should be arranged through carriers experienced in handling hazardous chemicals with appropriate emergency response procedures.
Is N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline subject to special regulations?
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline is subject to multiple regulatory frameworks including REACH registration requirements in Europe and CLP classification regulations. While not currently listed as a Substance of Very High Concern (SVHC), its Carc. 2 and Repr. 2 classifications require strict compliance with occupational exposure limits and worker protection measures. Users must maintain safety data sheets, implement risk management measures, and ensure proper notification procedures. Import/export may require additional permits depending on jurisdiction-specific chemical control regulations.
Where to buy N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline in Europe?
N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound with proper documentation, safety data sheets, and regulatory compliance support for industrial customers. As a professional chemical distributor, OYSI ensures appropriate packaging, handling, and delivery according to ADR transport regulations. Contact OYSI directly for availability, specifications, and technical support regarding this specialized chemical compound for your industrial applications.
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N-butyl-N-ethyl-2,6-dinitro-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.