3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline
C13H19N3O4
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Identification
- CAS Number
- 40487-42-1
- EC Number
- 254-938-2
- UN Number
- 3077
- Index Number
- 609-042-00-X
- PubChem CID
- 38479
Physical-chemical properties
- Molecular Formula
- C13H19N3O4
- Molar Mass
- 281.31 g/mol
- IUPAC Name
- 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline
Chemical Identifiers
- InChI
- InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3
- InChI Key
- CHIFOSRWCNZCFN-UHFFFAOYSA-N
Overview
3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline (CAS 40487-42-1) is a substituted aniline derivative with nitro functional groups and reproductive toxicity concerns. This specialized organic compound belongs to the dinitroaniline family, characterized by its distinctive molecular structure featuring two nitro groups positioned at the 2,6-positions of the benzene ring, along with methyl substituents at positions 3,4 and a pentan-3-yl group attached to the nitrogen atom. With a molecular formula of C13H19N3O4 and molecular weight of 281.31 g/mol, this compound exhibits specific chemical properties that make it valuable for targeted industrial applications. The substance is classified under European CLP regulation with reproductive toxicity category 2 (Repr. 2) and acute/chronic aquatic toxicity category 1, requiring careful handling protocols and environmental protection measures. The GHS08 pictogram indicates health hazards, while GHS09 signifies environmental dangers, with "Warning" as the designated signal word. Transportation falls under ADR class 9 for miscellaneous dangerous substances. Safety considerations are paramount when handling this compound due to its reproductive toxicity potential and significant environmental impact on aquatic ecosystems. Proper personal protective equipment, adequate ventilation, and containment measures are essential for safe industrial use. Primary applications include specialized chemical synthesis processes, particularly in the development of pharmaceutical intermediates and agrochemical formulations. The compound shares structural similarities with other carbamate derivatives like propan-2-yl N-(3-chlorophenyl)carbamate, which is utilized in related agricultural applications. Its unique substitution pattern makes it particularly suitable for selective chemical transformations in fine chemical manufacturing. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European industrial customers requiring high-quality chemical intermediates.
Safety & Classification
Repr. 2; 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
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Pendimethalin (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline?
3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline is an organic chemical compound with the molecular formula C13H19N3O4 and CAS number 40487-42-1. This substituted aniline derivative contains both methyl and nitro functional groups attached to the benzene ring, along with a pentan-3-yl group attached to the nitrogen atom. With a molecular weight of 281.31 g/mol, it belongs to the family of nitroaniline compounds used in various industrial applications.
What are the physicochemical properties of 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline?
3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline is a solid organic compound at room temperature with a molecular weight of 281.31 g/mol. The presence of nitro groups typically imparts a yellow to orange coloration to such compounds. Its solubility characteristics are influenced by both the polar nitro groups and the nonpolar alkyl substituents, making it moderately soluble in organic solvents but poorly soluble in water.
What is 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline used for?
3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline is primarily used as a chemical intermediate in organic synthesis and industrial manufacturing processes. Its structure suggests potential applications in the production of dyes, pigments, or pharmaceutical intermediates. The compound may also serve as a precursor in the synthesis of more complex organic molecules or as a specialty chemical in research and development applications within the chemical industry.
How to handle 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline safely?
3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline requires careful handling due to its reproductive toxicity (Repr. 2) classification. Essential personal 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 skin and eye contact, and ensure proper hygiene practices including thorough handwashing after handling. Emergency procedures should be readily available.
How to store 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline correctly?
3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Use tightly sealed, properly labeled containers made of compatible materials. Due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), implement containment measures to prevent environmental release. Store separately from incompatible materials such as strong oxidizers, acids, and bases to prevent dangerous reactions.
What to do in case of contact with 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline?
Immediate action is required upon contact with 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline. For skin contact, remove contaminated clothing and rinse affected areas with plenty of 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. Remove contaminated clothing and seek immediate medical attention in all cases, especially considering the reproductive toxicity hazard.
How to dispose of 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline properly?
3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline must be disposed of as hazardous waste through licensed waste management facilities. Due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), prevent release to water systems, soil, or atmosphere. Disposal must comply with local, national, and EU waste regulations including the Waste Framework Directive. Never dispose of through regular waste streams or pour down drains. Consult local authorities for approved disposal methods.
How to transport 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline?
3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations. Transport vehicles must carry proper placarding and emergency response information. Drivers require ADR certification for dangerous goods transport. Shipments must include proper shipping names, hazard labels, and emergency contact information as specified by international transport regulations.
Is 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline subject to special regulations?
3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline is subject to EU CLP Regulation classification as Repr. 2 (reproductive toxicity) and environmental hazard categories. While not currently listed as a SVHC under REACH, it requires safety data sheets, proper classification and labeling with GHS08 and GHS09 pictograms, and Warning signal word. Users must comply with REACH registration requirements if importing or manufacturing above threshold quantities. Additional workplace exposure limits may apply under national regulations.
Where to buy 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline in Europe?
3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline is available through OYSI, a specialized European distributor of technical chemicals. As an established chemical supplier, OYSI provides properly classified and documented chemical products compliant with EU regulations including REACH and CLP. Professional customers can contact OYSI directly to inquire about availability, specifications, packaging options, and delivery throughout Europe. All shipments include required safety documentation and proper hazard classification labeling.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.