2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline

C13H16F3N3O4

CAS1582-09-8
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 aromatic amine compound with herbicidal properties and significant environmental persistence. This specialized chemical compound, also identified by EC number 216-428-8, represents a complex organic molecule with a molecular formula of C13H16F3N3O4 and molecular weight of 335.28 g/mol. The molecule features a distinctive structure combining multiple functional groups: two nitro substituents, N,N-dipropyl groups, and a trifluoromethyl moiety attached to an aniline backbone. This unique combination of electron-withdrawing groups and alkyl chains contributes to its specific chemical and biological properties. The compound exhibits significant safety considerations, classified under hazard class Carc. 2 (suspected carcinogen), Skin Sens. 1 (skin sensitizer), and carries acute and chronic aquatic toxicity warnings (Aquatic Acute 1; Aquatic Chronic 1). These classifications necessitate careful handling protocols and appropriate personal protective equipment during industrial use. The GHS08, GHS07, and GHS09 pictograms reflect health hazards and environmental concerns, while its ADR class 9 designation categorizes it as a miscellaneous dangerous substance for transport purposes. Primary industrial applications include selective herbicide formulations for agricultural use, where its molecular structure provides effective weed control mechanisms. The compound also finds application in specialty chemical synthesis as an intermediate and in research applications for developing related agrochemical products. Unlike simpler aromatic compounds such as 1,4-dichlorobenzene, this molecule's complex substitution pattern enables highly selective biological activity. OYSI maintains reliable supply chains for 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline, ensuring consistent availability for qualified industrial customers throughout Europe.

Safety & Classification

Warning
Classification:

Carc. 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.

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:

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 NameTrifluralin (ISO), NPDA < 0,5 ppm
Marine PollutantNo

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 contains nitro groups, propyl chains, and a trifluoromethyl group attached to an aromatic 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 impact.

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 complex organic molecule containing multiple functional groups including nitro, aniline, and trifluoromethyl substituents. The presence of nitro groups typically imparts a yellow to orange coloration to such compounds. The trifluoromethyl group enhances lipophilicity and chemical stability, while the propyl chains affect solubility characteristics. The compound's properties are influenced by intramolecular interactions between these diverse functional groups.

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 herbicide active ingredient in agricultural applications. Its chemical structure, featuring nitro groups and trifluoromethyl substituents, provides selective herbicidal activity against certain weed species. The compound may also serve as an intermediate in the synthesis of other agrochemical products. Due to its specialized nature and regulatory restrictions, its use is typically limited to professional agricultural and research applications.

How to handle 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline safely?

2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline requires careful handling due to its Carc. 2 and Skin Sens. 1 classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection when handling powder forms. Work should be conducted in well-ventilated areas or under fume extraction systems. Avoid skin contact and inhalation of dust or vapors. Implement proper hygiene measures including thorough handwashing after handling and changing contaminated clothing immediately.

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 original containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers tightly sealed to prevent moisture absorption and contamination. Store separately from oxidizing agents, strong bases, and food products. Implement appropriate secondary containment measures and maintain storage temperatures below 25°C. Ensure storage areas have adequate fire prevention systems and restricted access due to the compound's hazardous nature.

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

Immediate action is required for any contact with 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15-20 minutes. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek medical attention immediately. Always consult a physician and provide the safety data sheet for proper medical treatment.

How to dispose of 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline appropriately?

2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline disposal must comply with local and European waste regulations due to its hazardous classification. The substance cannot be disposed of as regular waste and requires treatment as hazardous chemical waste. Contact licensed hazardous waste disposal companies for proper collection and incineration at authorized facilities. Empty containers may also require special handling. Document all disposal activities and maintain records as required by waste management regulations to ensure environmental protection.

How to transport 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline?

2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation purposes. This classification requires appropriate UN-specification packaging, proper labeling with Class 9 hazard labels, and transport documentation including dangerous goods declarations. Vehicles must carry appropriate emergency equipment and drivers require ADR certification. Shipments must comply with quantity limitations and routing restrictions as specified in international dangerous goods transport regulations.

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 extensive European chemical regulations including REACH registration requirements and CLP classification obligations. While not currently listed as an SVHC substance, its Carc. 2 classification subjects it to specific labeling and handling requirements under CLP regulation. The compound may also fall under biocidal product regulations if used as a pesticide active substance, requiring specific authorizations for commercial use and distribution within the European Union.

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. OYSI provides this compound to qualified industrial customers and research institutions with proper handling capabilities and regulatory compliance. Due to the substance's hazardous classification and potential regulatory restrictions, purchases may require documentation of intended use and appropriate safety measures. Contact OYSI directly for availability, technical specifications, and compliance support for your specific application requirements.

Data Sources

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