2,4-dinitro-6-pentan-2-ylphenol
C11H14N2O5
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Identification
- CAS Number
- 4097-36-3
- UN Number
- 2779
- Index Number
- 609-033-00-0
- PubChem CID
- 20041
Physical-chemical properties
- Molecular Formula
- C11H14N2O5
- Molar Mass
- 254.24 g/mol
- IUPAC Name
- 2,4-dinitro-6-pentan-2-ylphenol
Chemical Identifiers
- InChI
- InChI=1S/C11H14N2O5/c1-3-4-7(2)9-5-8(12(15)16)6-10(11(9)14)13(17)18/h5-7,14H,3-4H2,1-2H3
- InChI Key
- PSOZMUMWCXLRKX-UHFFFAOYSA-N
Overview
2,4-dinitro-6-pentan-2-ylphenol (CAS 4097-36-3) is a substituted nitrophenol compound with significant toxicity and environmental impact properties. This specialized chemical compound belongs to the dinitrophenol family, characterized by two nitro groups attached to a phenol ring structure with an additional pentan-2-yl substituent. With a molecular formula of C11H14N2O5 and molecular weight of 254.24 g/mol, this substance exhibits properties typical of nitrophenolic compounds, including potential biological activity and environmental persistence. The compound presents significant safety considerations, classified under ADR Class 6.1 as a toxic substance. Its hazard profile includes acute toxicity through multiple exposure routes (oral, dermal, and inhalation) with Acute Tox. 3 classifications, requiring careful handling protocols. The presence of GHS06 and GHS09 pictograms emphasizes both its toxicological risks and severe aquatic environmental hazards, with classifications of Aquatic Acute 1 and Aquatic Chronic 1 indicating immediate and long-term threats to aquatic ecosystems. In industrial applications, 2,4-dinitro-6-pentan-2-ylphenol serves primarily as an intermediate in chemical synthesis processes, particularly in the production of specialized pesticides and pharmaceutical compounds. The compound also finds use in research and development applications where its unique substitution pattern provides specific reactivity profiles. Its structural similarity to compounds like 2-cyclohexyl-4,6-dinitrophenol makes it valuable in comparative studies and as an alternative in certain synthetic pathways. Due to its hazardous nature, this substance requires specialized handling, storage, and transportation procedures. OYSI provides this technical chemical to qualified industrial customers with appropriate safety documentation and regulatory compliance support.
Safety & Classification
Acute Tox. 3 *; Acute Tox. 3 *; Acute Tox. 3 *; 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
Inhalation
Measures if vapours or dust are inhaled
First Aid Actions
- +P304IF INHALED:
- +P340Remove person to fresh air and keep comfortable for breathing.
- +P311Call a POISON CENTER/doctor.
Related hazard statements:
Skin Contact
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:
Ingestion
Measures if substance is accidentally swallowed
First Aid Actions
- +P301IF SWALLOWED:
- +P330Rinse mouth.
- +P331Do NOT induce vomiting.
- +P310Immediately call a POISON CENTER/doctor.
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 | 2779 |
| ADR Class | 6.1 |
| Packing Group | II |
| Tunnel Code | D/E |
| Proper Shipping Name | Dinosam (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2,4-dinitro-6-pentan-2-ylphenol?
2,4-dinitro-6-pentan-2-ylphenol is an organic chemical compound with the molecular formula C11H14N2O5 and CAS number 4097-36-3. This nitrophenol derivative has a molecular weight of 254.24 g/mol and features two nitro groups attached to a phenol ring with a pentan-2-yl substituent. It is classified as a dangerous substance with acute toxicity and environmental hazards, requiring careful handling and specialized safety measures in industrial applications.
What are the physicochemical properties of 2,4-dinitro-6-pentan-2-ylphenol?
2,4-dinitro-6-pentan-2-ylphenol is a solid organic compound at room temperature with a molecular weight of 254.24 g/mol. As a nitrophenol derivative, it typically appears as a crystalline solid with characteristic properties of substituted phenolic compounds. The presence of nitro groups and the alkyl chain influences its solubility behavior and chemical reactivity. Specific physical properties such as melting point, boiling point, and exact solubility data should be confirmed through technical datasheets.
What is 2,4-dinitro-6-pentan-2-ylphenol used for?
2,4-dinitro-6-pentan-2-ylphenol is primarily used as a chemical intermediate in organic synthesis and specialty chemical manufacturing. Its nitrophenol structure makes it valuable for producing various derivatives in pharmaceutical, agrochemical, and fine chemical industries. The compound may serve as a precursor for dyes, pigments, or other functionalized organic molecules. Due to its toxic properties, applications are limited to professional and industrial uses with appropriate safety controls and expertise.
How to handle 2,4-dinitro-6-pentan-2-ylphenol safely?
2,4-dinitro-6-pentan-2-ylphenol requires strict safety measures due to its Acute Tox. 3 classification across multiple exposure routes. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas. Avoid skin contact, inhalation, and ingestion. Work in fume hoods when possible, use appropriate containment measures, and ensure emergency procedures are readily available. Only trained personnel should handle this substance following established safety protocols and workplace exposure limits.
How to store 2,4-dinitro-6-pentan-2-ylphenol correctly?
2,4-dinitro-6-pentan-2-ylphenol must be stored in tightly sealed, labeled containers in a cool, dry, well-ventilated area away from incompatible materials. Storage areas should be equipped with appropriate containment measures and restricted to authorized personnel only. Keep away from heat sources, oxidizing agents, and strong bases. Storage facilities must comply with local regulations for toxic substances and include proper secondary containment to prevent environmental release. Regular inventory checks and container integrity inspections are recommended.
What to do in case of contact with 2,4-dinitro-6-pentan-2-ylphenol?
Immediate action is required for any contact with 2,4-dinitro-6-pentan-2-ylphenol due to its acute toxicity. For skin contact, immediately remove contaminated clothing and flush affected area with plenty of water for at least 15 minutes. In case of eye contact, rinse thoroughly with water and seek immediate medical attention. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek urgent medical care. Always consult emergency services and provide the safety data sheet to medical personnel.
How to dispose of 2,4-dinitro-6-pentan-2-ylphenol appropriately?
2,4-dinitro-6-pentan-2-ylphenol requires disposal as hazardous waste through licensed waste management companies specializing in toxic chemical disposal. The compound cannot be disposed of through regular waste streams due to its acute toxicity and environmental hazard classification. Disposal methods must comply with local, national, and EU waste regulations. Contact certified hazardous waste contractors for proper collection, treatment, and disposal. Maintain detailed waste disposal records and ensure proper waste classification codes are used for regulatory compliance.
How to transport 2,4-dinitro-6-pentan-2-ylphenol?
2,4-dinitro-6-pentan-2-ylphenol is classified under ADR Class 6.1 (Toxic substances), Packing Group II, indicating significant transport hazards. Transportation requires UN-approved packaging, proper hazard labels, and documentation compliant with dangerous goods regulations. Drivers must hold ADR certification for Class 6.1 substances. Vehicles must carry appropriate emergency equipment and transport documents. Shipments require proper segregation from incompatible materials and adherence to routing restrictions. Only qualified dangerous goods handlers should manage transport operations.
Is 2,4-dinitro-6-pentan-2-ylphenol subject to specific regulations?
2,4-dinitro-6-pentan-2-ylphenol is subject to multiple European chemical regulations including REACH registration requirements and CLP classification obligations. While not currently listed as an SVHC substance, it falls under standard chemical safety regulations due to its acute toxicity and environmental hazard classifications. Companies must maintain safety data sheets, conduct chemical safety assessments, and comply with worker protection legislation. Import/export may require specific notifications, and industrial use must follow established risk management measures and exposure scenarios.
Where to buy 2,4-dinitro-6-pentan-2-ylphenol in Europe?
2,4-dinitro-6-pentan-2-ylphenol is available through OYSI, a specialized European distributor of technical chemicals. As a professional chemical supplier, OYSI provides this regulated substance to qualified industrial customers with proper documentation and safety data sheets. Due to the compound's hazardous nature, purchases are restricted to businesses with appropriate handling capabilities and regulatory compliance. Contact OYSI's technical team for availability, specifications, and regulatory requirements for your specific application and location within Europe.
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2,4-dinitro-6-pentan-2-ylphenol 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.