2-cyclohexyl-4,6-dinitrophenol

C12H14N2O5

CAS131-89-5
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
131-89-5
EC Number
205-042-5
UN Number
2779
Index Number
609-028-00-3
PubChem CID
8540

Physical-chemical properties

Molecular Formula
C12H14N2O5
Molar Mass
266.25 g/mol
IUPAC Name
2-cyclohexyl-4,6-dinitrophenol

Chemical Identifiers

InChI
InChI=1S/C12H14N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h6-8,15H,1-5H2
InChI Key
QJYHUJAGJUHXJN-UHFFFAOYSA-N

Overview

2-cyclohexyl-4,6-dinitrophenol (CAS 131-89-5) is a dinitrophenol derivative with significant toxicological properties and environmental impact concerns. This organic compound, with the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol, belongs to the nitrophenol family of chemicals. The substance features a cyclohexyl substituent on the phenol ring alongside two nitro groups positioned at the 4 and 6 positions, giving it distinct chemical and biological properties. As indicated by its EC number 205-042-5, this compound has been registered and evaluated within the European chemical regulatory framework. The safety profile of 2-cyclohexyl-4,6-dinitrophenol requires careful consideration due to its classification under multiple acute toxicity categories (Acute Tox. 3) for oral, dermal, and inhalation exposure routes. The compound carries the "Danger" signal word and is associated with GHS06 (skull and crossbones) and GHS09 (environmental hazard) pictograms. Its classification as Aquatic Acute 1 and Aquatic Chronic 1 indicates severe toxicity to aquatic life with long-lasting effects. Transportation falls under ADR Class 6.1, designating it as a toxic substance requiring specialized handling procedures. Industrial applications typically involve its use as an intermediate in chemical synthesis and in specialized formulations where its unique molecular structure provides desired properties. The compound shares chemical similarities with other nitrophenol derivatives such as 2,4-dinitro-6-pentan-2-ylphenol, which also features dinitro substitution patterns on phenolic compounds. OYSI maintains availability of 2-cyclohexyl-4,6-dinitrophenol for qualified industrial customers, ensuring compliance with all relevant European chemical regulations and safety standards.

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 GroupIII
Tunnel CodeE
Proper Shipping NameDinex (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 2-cyclohexyl-4,6-dinitrophenol?

2-cyclohexyl-4,6-dinitrophenol is an organic chemical compound with the molecular formula C12H14N2O5 and CAS number 131-89-5. This substance belongs to the dinitrophenol family and features a cyclohexyl group attached to a dinitrophenol structure. With a molecular weight of 266.25 g/mol, it is classified as highly toxic and environmentally hazardous, requiring careful handling and specialized knowledge for industrial applications.

What are the physicochemical properties of 2-cyclohexyl-4,6-dinitrophenol?

2-cyclohexyl-4,6-dinitrophenol is a solid organic compound at room temperature, typically appearing as a crystalline material. As a dinitrophenol derivative, it exhibits characteristic chemical stability under normal conditions but can be reactive under specific circumstances. The compound's molecular structure includes both hydrophobic cyclohexyl and hydrophilic nitrophenol components, affecting its solubility properties. Specific physical parameters should be verified from technical datasheets for precise applications.

What is 2-cyclohexyl-4,6-dinitrophenol used for?

2-cyclohexyl-4,6-dinitrophenol is primarily used in specialized industrial applications requiring its unique chemical properties. Common applications include use as an intermediate in organic synthesis, potential applications in research and development, and specialized chemical manufacturing processes. Due to its high toxicity classification (Acute Tox. 3), its use is restricted to professional and industrial settings with appropriate safety measures and regulatory compliance.

How to handle 2-cyclohexyl-4,6-dinitrophenol safely?

2-cyclohexyl-4,6-dinitrophenol must be handled with extreme caution due to its Acute Tox. 3 classification and GHS06 pictogram indicating fatal toxicity. 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. Only trained personnel should handle this substance, following strict safety protocols and emergency procedures.

How to store 2-cyclohexyl-4,6-dinitrophenol correctly?

2-cyclohexyl-4,6-dinitrophenol should be stored in a cool, dry, well-ventilated area away from incompatible materials and ignition sources. Storage areas must be secured and accessible only to authorized personnel due to the substance's high toxicity. Containers should be properly labeled according to GHS requirements, displaying appropriate hazard pictograms (GHS06, GHS09). Regular inspection of storage conditions and container integrity is essential for maintaining safety standards.

What to do in case of contact with 2-cyclohexyl-4,6-dinitrophenol?

Immediate action is critical due to the acute toxicity of 2-cyclohexyl-4,6-dinitrophenol. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. In case of eye contact, flush immediately with clean water for at least 15 minutes. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Contact emergency services and provide safety data sheet information to medical personnel.

How to dispose of 2-cyclohexyl-4,6-dinitrophenol appropriately?

2-cyclohexyl-4,6-dinitrophenol must be disposed of as hazardous waste according to local and European regulations due to its acute toxicity and environmental hazard classification. Disposal should only be conducted through licensed hazardous waste management companies. The substance cannot be disposed of in regular waste streams or sewerage systems. Proper documentation and tracking of disposal activities are required to ensure regulatory compliance and environmental protection.

How to transport 2-cyclohexyl-4,6-dinitrophenol?

2-cyclohexyl-4,6-dinitrophenol is classified under ADR Class 6.1 (toxic substances), Packing Group III for transportation. Transport requires appropriate dangerous goods packaging, labeling with class 6.1 hazard labels, and proper shipping documentation. Only authorized carriers with dangerous goods certification can transport this substance. Vehicles must comply with ADR requirements including appropriate placarding, emergency equipment, and driver training for toxic substance transport.

Is 2-cyclohexyl-4,6-dinitrophenol subject to specific regulations?

2-cyclohexyl-4,6-dinitrophenol is subject to comprehensive European chemical regulations including REACH registration requirements and CLP classification obligations. The substance is classified with multiple hazard classes requiring strict compliance with occupational safety regulations. While not currently listed as an SVHC, its acute toxicity and environmental hazard classifications mean it falls under restricted use provisions and requires specialized handling permits in many jurisdictions.

Where to buy 2-cyclohexyl-4,6-dinitrophenol in Europe?

2-cyclohexyl-4,6-dinitrophenol is available through specialized chemical distributors in Europe, including OYSI, which provides professional-grade chemicals to industrial customers. Due to its hazardous classification, purchase is typically restricted to qualified industrial users with appropriate safety certifications and handling capabilities. Buyers must comply with regulatory requirements and provide necessary documentation for procurement of this controlled substance.

Data Sources

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