N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline

C13H16F3N3O4

CAS1861-40-1
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 aniline compound featuring nitro and trifluoromethyl functional groups with significant industrial applications. This specialized chemical compound, with the molecular formula C13H16F3N3O4 and EC number 217-465-2, represents an important class of nitroaniline derivatives used in various technical applications. The molecule combines a dinitroaniline backbone with trifluoromethyl substitution, resulting in unique chemical properties that make it valuable for specific industrial processes. Its molecular weight of 335.28 g/mol reflects the complex structure incorporating multiple functional groups including nitro groups at positions 2 and 6, and a trifluoromethyl group at position 4 of the aromatic ring. The compound exhibits significant safety considerations, classified under multiple hazard categories including carcinogenicity (Category 2) and reproductive toxicity (Category 2), requiring careful handling protocols. It also presents skin and eye irritation potential, along with skin sensitization properties. Environmental impact is notable with acute and chronic aquatic toxicity classifications, necessitating appropriate containment and disposal procedures. The ADR Class 9 designation indicates it falls under miscellaneous dangerous substances for transportation purposes. Industrial applications typically include use as an intermediate in specialty chemical synthesis and as a component in certain formulation processes. The compound's unique trifluoromethyl functionality provides enhanced stability and specific reactivity patterns compared to simpler aromatic compounds like 1,4-dichlorobenzene, making it particularly valuable in advanced chemical manufacturing where precise molecular characteristics are required. OYSI maintains reliable supply chains for this technical chemical compound, ensuring consistent availability for qualified industrial customers across European markets.

Safety & Classification

Warning
Classification:

Carc. 2; Repr. 2; Skin Irrit. 2; Eye Irrit. 2; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

H315

Causes skin irritation.

H319

Causes serious eye irritation.

H317

May cause an allergic skin reaction.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

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

Irritant

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:

Eye Contact

Irritant

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameBenfluralin (ISO)
Marine PollutantNo

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 a synthetic organic compound with the molecular formula C13H16F3N3O4 and CAS number 1861-40-1. This substituted aniline derivative contains both nitro groups and a trifluoromethyl group, giving it unique chemical properties. With a molecular weight of 335.28 g/mol, it belongs to the family of dinitroaniline compounds commonly used in industrial applications requiring specific chemical reactivity.

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 solid compound at room temperature with distinctive chemical characteristics. The presence of nitro groups and trifluoromethyl substituents affects its polarity and solubility profile. The compound's molecular structure, featuring both electron-withdrawing groups and alkyl chains, influences its physical state and chemical stability. Specific physical properties such as melting point and solubility should be confirmed through technical specifications from suppliers.

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 an intermediate in chemical synthesis and pharmaceutical manufacturing. Its dinitroaniline structure makes it valuable in the production of specialized organic compounds. The compound serves applications in research and development, particularly in creating derivatives with specific biological or chemical properties. Industrial uses may include synthesis of agrochemicals or pharmaceutical intermediates where its unique substitution pattern provides desired reactivity.

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 careful handling due to its classification as a potential carcinogen and reproductive toxicant. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work in well-ventilated areas or under fume hoods to avoid inhalation. The compound can cause skin irritation and sensitization, so immediate washing is required after any contact. Always follow safety data sheet recommendations.

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 place away from heat sources and incompatible materials. Keep containers tightly sealed to prevent contamination and moisture absorption. Storage areas must be well-ventilated and equipped with appropriate spill containment measures. Due to its hazard profile, restrict access to authorized personnel only. Store separately from strong oxidizing agents and reducing materials to prevent dangerous reactions. Regular inspection of containers is recommended.

What to do in case of contact with N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline?

Immediate action is required upon 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, rinse immediately with clean water for 15 minutes and remove contact lenses if present. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek medical attention promptly. Always consult a physician after any significant exposure.

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 according to local and European regulations. Never dispose of this substance in regular waste streams or pour down drains due to its environmental toxicity classification. Contact licensed hazardous waste disposal companies for proper collection and treatment. The compound requires special handling due to its carcinogenic properties and environmental impact. Always consult local authorities and follow waste classification codes for chemical disposal.

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. This classification requires appropriate packaging, labeling, and documentation during shipment. Transport vehicles must carry proper placards and emergency response information. Drivers need ADR certification for handling Class 9 materials. Packaging must meet UN specifications and prevent leakage during normal transport conditions. Always verify current transport regulations with carriers before shipping.

Is N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline subject to particular regulations?

N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline is subject to REACH registration requirements and CLP classification regulations in Europe. The compound carries multiple hazard classifications including carcinogenicity (Category 2) and reproductive toxicity (Category 2), requiring strict labeling and safety data sheet provisions. While not currently listed as SVHC, its hazard profile demands compliance with occupational exposure limits and worker protection measures. Companies must ensure proper registration and downstream user communication under REACH.

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 European distributor specializing in technical chemical products. OYSI provides this compound to qualified industrial customers with proper handling capabilities and regulatory compliance. Due to the substance's hazardous nature, purchases are typically restricted to professional users with appropriate facilities and safety measures. Contact OYSI directly for availability, specifications, and regulatory documentation required for your specific application and location within Europe.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.