N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline

C14H16F3N3O4

CAS26399-36-0
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 nitroaniline derivative with distinctive trifluoromethyl substitution and cycloalkyl functionality. This complex organic compound features a molecular structure combining multiple functional groups that contribute to its unique chemical properties. With a molecular formula of C14H16F3N3O4 and molecular weight of 347.29 g/mol, this nitroaniline derivative exhibits the characteristic properties associated with both nitro-substituted aromatics and trifluoromethyl-containing compounds. The presence of the cyclopropylmethyl group adds structural rigidity, while the propyl chain provides additional alkyl character to the molecule. From a safety perspective, this compound requires careful handling protocols due to its classification as an eye irritant (Eye Irrit. 2) and its significant aquatic toxicity profile (Aquatic Acute 1; Aquatic Chronic 1). The GHS07 and GHS09 pictograms indicate both health hazards and environmental concerns, necessitating appropriate personal protective equipment and environmental containment measures during handling and storage. Its ADR Class 9 classification designates it as a miscellaneous dangerous substance for transport purposes. The compound's unique structural features make it valuable in specialized chemical applications, particularly in pharmaceutical intermediate synthesis and agrochemical development. Its trifluoromethyl group provides enhanced metabolic stability and bioactivity, similar to characteristics found in related fluorinated compounds. Industrial applications typically include use as a building block in complex organic synthesis and as a precursor in the manufacture of specialized crop protection agents. Unlike simpler compounds such as triphenyl phosphite, this nitroaniline derivative requires specialized handling expertise and storage conditions. OYSI maintains technical-grade supplies of this specialized chemical for qualified industrial customers throughout Europe.

Safety & Classification

Warning
Classification:

Eye Irrit. 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H319

Causes serious eye irritation.

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

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 NameProfluralin (ISO), fest
Marine PollutantNo

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 complex organic compound with CAS number 26399-36-0 and molecular formula C14H16F3N3O4. This chemical features a substituted aniline structure with multiple functional groups including nitro groups, trifluoromethyl substituent, and cyclopropylmethyl chains. With a molecular weight of 347.29 g/mol, it is classified as an eye irritant and poses environmental hazards to aquatic life.

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 has a molecular weight of 347.29 g/mol and contains fluorine atoms which typically confer chemical stability and low surface tension properties. The presence of nitro groups and the aromatic aniline structure suggest it may appear as a colored solid or liquid. The trifluoromethyl group typically reduces water solubility while the multiple substituents affect its physical state and handling characteristics.

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 an intermediate in chemical synthesis and pharmaceutical research applications. Its complex molecular structure with multiple functional groups makes it valuable for developing specialized compounds in agrochemical and pharmaceutical industries. The compound may serve as a building block for creating more complex molecules or as a research chemical for analytical and development purposes in specialized industrial applications.

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 irritant properties (Eye Irrit. 2). Always wear safety goggles, chemical-resistant gloves, and protective clothing when handling this substance. Work in well-ventilated areas or under fume hoods to avoid inhalation. Prevent environmental release due to its aquatic toxicity classification. Follow good laboratory practices and ensure emergency eyewash stations are accessible during handling operations.

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 tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers away from heat sources and direct sunlight. Due to its environmental hazard classification, ensure storage areas have appropriate containment measures to prevent environmental release. Store separately from strong oxidizers and bases, and maintain proper labeling with GHS07 and GHS09 pictograms as required.

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 action due to its Eye Irrit. 2 classification. Rinse eyes immediately with plenty of 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. Seek medical attention if irritation persists or if large amounts were involved in the exposure.

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 toxicity classification (Aquatic Acute 1; Aquatic Chronic 1). Never discharge to sewers, waterways, or soil. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Follow local and national waste regulations. Contaminated packaging should also be treated as hazardous waste. Maintain documentation of disposal for regulatory compliance and environmental protection.

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 for transportation. This classification indicates it presents a lower degree of danger during transport but still requires proper packaging, labeling, and documentation. Use UN-approved packaging appropriate for Class 9 materials. Ensure proper shipping documentation includes the correct technical name, UN number, and hazard class. Follow ADR regulations for vehicle requirements and driver certification.

Is N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline subject to special regulations?

N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline is subject to REACH regulation in Europe and must comply with CLP classification requirements. It is not currently listed as a Substance of Very High Concern (SVHC). The substance requires proper classification labeling with Warning signal word and GHS07/GHS09 pictograms. Environmental regulations apply due to its aquatic toxicity. Users must maintain safety data sheets and ensure proper risk assessments for workplace use and environmental protection.

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 this compound with proper documentation, safety data sheets, and regulatory compliance for European markets. As a professional chemical distributor, OYSI ensures quality standards and proper handling throughout the supply chain. Contact OYSI directly for availability, technical specifications, and delivery options across Europe for your specific application requirements.

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Data Sources

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