2,4-dinitro-6-pentan-2-ylphenol

C11H14N2O5

CAS4097-36-3
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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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 dinitrophenol compound with significant toxicological properties and environmental concerns. This specialized chemical compound belongs to the dinitrophenol family, characterized by the presence of two nitro groups (-NO2) and a pentyl substituent on the phenolic ring structure. With a molecular formula of C11H14N2O5 and a molecular weight of 254.24 g/mol, this substance exhibits properties typical of nitrophenol derivatives, including enhanced reactivity and biological activity due to the electron-withdrawing nitro groups. The compound presents significant safety considerations, classified under multiple acute toxicity categories (Acute Tox. 3) for oral, dermal, and inhalation exposure routes. Its environmental profile is equally concerning, with classifications as Aquatic Acute 1 and Aquatic Chronic 1, indicating severe hazards to aquatic life with long-lasting effects. The GHS06 and GHS09 pictograms emphasize both its acute toxicity and environmental dangers, while the ADR classification 6.1 designates it as a toxic substance for transportation purposes. Industrial applications of 2,4-dinitro-6-pentan-2-ylphenol typically include use as a chemical intermediate in pesticide synthesis, where its structural similarity to compounds like 2-cyclohexyl-4,6-dinitrophenol makes it valuable in developing related agricultural chemicals. The compound also finds application in specialized research and development projects requiring specific phenolic derivatives, and serves as a building block in organic synthesis processes where selective nitration patterns are required. OYSI provides this technical chemical compound to qualified industrial customers with appropriate handling capabilities and regulatory compliance frameworks.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *; Acute Tox. 3 *; Acute Tox. 3 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H331

Toxic if inhaled.

H311

Toxic in contact with skin.

H301

Toxic if swallowed.

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

Inhalation

Toxic

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

Toxic

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

Toxic

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 Number2779
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping NameDinosam (ISO)
Marine PollutantNo

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 substituted phenol contains two nitro groups and a pentan-2-yl side chain, giving it a molecular weight of 254.24 g/mol. It is classified as a highly toxic substance with significant 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 distinctive chemical properties due to its nitrophenol structure. The presence of electron-withdrawing nitro groups significantly affects its reactivity and solubility characteristics. Its molecular structure includes both hydrophobic (pentan-2-yl) and hydrophilic (hydroxyl, nitro) components, influencing its behavior in different solvents and environmental conditions.

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 specialized industrial synthesis processes. Its unique molecular structure makes it valuable in the production of certain pharmaceuticals, agrochemicals, or specialty chemicals. Due to its high toxicity classification (Acute Tox. 3), its applications are limited to professional industrial settings with appropriate safety controls and regulatory compliance measures.

How to handle 2,4-dinitro-6-pentan-2-ylphenol safely?

2,4-dinitro-6-pentan-2-ylphenol requires strict safety protocols due to its Acute Tox. 3 classification. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin contact, inhalation, and ingestion. Personnel must be trained in chemical handling procedures and emergency response protocols before working with this hazardous substance.

How to store 2,4-dinitro-6-pentan-2-ylphenol correctly?

2,4-dinitro-6-pentan-2-ylphenol must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Containers should be tightly sealed and properly labeled with hazard information. Storage areas require restricted access, appropriate ventilation systems, and emergency response equipment. Regular inspection of containers for damage or leaks is essential. Environmental controls should prevent release into water systems due to its aquatic toxicity classification.

What to do in case of contact with 2,4-dinitro-6-pentan-2-ylphenol?

Immediate action is critical due to the acute toxicity of 2,4-dinitro-6-pentan-2-ylphenol. For skin contact, remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, flush with water continuously. If ingested, do not induce vomiting. Seek immediate medical attention in all cases 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 specialized hazardous waste disposal through licensed waste management companies. Due to its acute toxicity and environmental hazard classifications, it cannot be disposed of through normal waste streams. Disposal must comply with local, national, and European waste regulations. Incineration at approved high-temperature facilities is typically required, with proper pre-treatment to neutralize toxic and environmental risks.

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. Shipments require appropriate UN-specification packaging, proper labeling with GHS06 and GHS09 pictograms, and transport documentation. Drivers must hold ADR certification for Class 6.1 materials. Vehicles require appropriate placarding and emergency equipment. Transport must comply with European ADR regulations for dangerous goods.

Is 2,4-dinitro-6-pentan-2-ylphenol subject to specific regulations?

2,4-dinitro-6-pentan-2-ylphenol is subject to comprehensive European chemical regulations including REACH registration requirements and CLP classification obligations. While not currently listed as an SVHC substance, its Acute Tox. 3 and aquatic toxicity classifications impose strict handling, labeling, and reporting requirements. Companies must maintain safety data sheets, implement risk management measures, and comply with occupational exposure limits and environmental protection standards.

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 ensures regulatory compliance, proper packaging, and complete documentation including safety data sheets. Due to the substance's hazardous classification, purchases are restricted to qualified industrial users with appropriate handling capabilities and regulatory authorizations. Contact OYSI directly for availability and technical specifications.

Data Sources

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