4-nitrosophenol

C6H5NO2

CAS104-91-6
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
104-91-6
EC Number
203-251-6
UN Number
3236
Index Number
604-042-00-6
PubChem CID
7729

Physical-chemical properties

Molecular Formula
C6H5NO2
Molar Mass
123.11 g/mol
IUPAC Name
4-nitrosophenol

Chemical Identifiers

InChI
InChI=1S/C6H5NO2/c8-6-3-1-5(7-9)2-4-6/h1-4,8H
InChI Key
JSTCPNFNKICNNO-UHFFFAOYSA-N

Overview

4-nitrosophenol (CAS 104-91-6) is an aromatic nitroso compound characterized by its phenolic structure and distinctive chemical reactivity in industrial applications. This specialized chemical compound belongs to the nitroso-phenol family and serves as an important intermediate in various chemical synthesis processes. With the molecular formula C6H5NO2 and a molecular weight of 123.11 g/mol, 4-nitrosophenol exhibits unique properties that make it valuable for specific industrial applications, particularly in organic synthesis and chemical manufacturing. The compound presents significant safety considerations due to its hazard classification including mutagenic properties (Muta. 2), acute toxicity (Acute Tox. 4), severe eye damage potential (Eye Dam. 1), and chronic aquatic toxicity (Aquatic Chronic 2). These characteristics require careful handling protocols and proper safety equipment during use. The substance is classified under ADR transport class 4.1, indicating its flammable solid properties, and displays GHS pictograms GHS08, GHS07, GHS05, and GHS09 with the signal word "Danger." In industrial applications, 4-nitrosophenol finds primary use as a chemical intermediate in pharmaceutical synthesis, serving as a building block for various drug compounds. It also functions as a reagent in analytical chemistry and plays a role in the production of specialized dyes and pigments. Unlike related compounds such as copper bis(N-cyclohexyl-N-oxidonitrous amide), which serves different industrial purposes, 4-nitrosophenol's specific phenolic structure provides unique reactivity patterns essential for targeted synthetic pathways. OYSI maintains reliable supply chains for 4-nitrosophenol to support European industrial customers requiring this specialized chemical intermediate.

Safety & Classification

Danger
Classification:

Muta. 2; Acute Tox. 4 *; Eye Dam. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H341

Suspected of causing genetic defects.

H302

Harmful if swallowed.

H318

Causes serious eye damage.

H411

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

Harmful

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:

Ingestion

Harmful

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 Number3236
ADR Class4.1
Packing Group
Tunnel CodeD
Proper Shipping Name4-Nitrosophenol, Konz. = 100 %
Marine PollutantNo

Frequently Asked Questions

What is 4-nitrosophenol?

4-nitrosophenol is an organic chemical compound with the molecular formula C6H5NO2 and CAS number 104-91-6. It belongs to the family of nitrosophenols, characterized by the presence of both a nitroso group (-NO) and a hydroxyl group (-OH) attached to a benzene ring. With a molecular weight of 123.11 g/mol, this compound is classified as hazardous due to its mutagenic properties, acute toxicity, and potential for causing serious eye damage.

What are the physicochemical properties of 4-nitrosophenol?

4-nitrosophenol typically appears as a crystalline solid at room temperature, often displaying a yellowish to brownish coloration due to the presence of the nitroso functional group. The compound has a molecular weight of 123.11 g/mol and contains both polar (hydroxyl and nitroso groups) and nonpolar (benzene ring) regions, affecting its solubility characteristics. Its physicochemical properties are influenced by intramolecular hydrogen bonding and the electron-withdrawing nature of the nitroso group.

What is 4-nitrosophenol used for?

4-nitrosophenol serves primarily as an intermediate in organic synthesis and pharmaceutical manufacturing. It is commonly used in the production of dyes, pigments, and other organic compounds where the nitroso functionality is required. The compound also finds applications in analytical chemistry as a reagent for various chemical tests and reactions. Additionally, it may be employed in research settings for studying nitrosation reactions and developing new chemical processes in the pharmaceutical and chemical industries.

How to handle 4-nitrosophenol safely?

4-nitrosophenol requires careful handling due to its classification as Muta. 2, Acute Tox. 4, and Eye Dam. 1. Essential personal protective equipment includes chemical-resistant gloves, safety goggles or face shield, and appropriate respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid direct skin and eye contact, and ensure emergency washing facilities are readily available. All handling procedures should follow established safety protocols and risk assessments.

How to store 4-nitrosophenol correctly?

4-nitrosophenol should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from direct sunlight and heat sources. As a Class 4.1 substance, it requires storage conditions that prevent decomposition or unwanted reactions. Keep containers properly labeled and segregated from incompatible materials. Storage areas should be equipped with appropriate spill containment measures and emergency response equipment. Regular inspection of containers for signs of deterioration or leakage is recommended to maintain storage integrity.

What to do in case of contact with 4-nitrosophenol?

Immediate action is required following contact with 4-nitrosophenol due to its Eye Dam. 1 and Acute Tox. 4 classifications. For eye contact, flush immediately with plenty of clean water for at least 15 minutes and seek medical attention urgently. In case of skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek medical attention immediately while providing the safety data sheet to medical personnel.

How to dispose of 4-nitrosophenol appropriately?

4-nitrosophenol disposal must comply with local and European waste regulations due to its hazardous classification including mutagenic properties and aquatic toxicity (Aquatic Chronic 2). The substance should never be disposed of down drains or into the environment. Waste should be collected in appropriate containers, properly labeled, and handed over to licensed waste disposal companies specializing in hazardous chemical waste. Incineration at authorized facilities capable of handling toxic substances is typically the preferred disposal method.

How to transport 4-nitrosophenol?

4-nitrosophenol is classified under ADR Class 4.1, indicating it is a flammable solid requiring specific transport regulations. Packaging must comply with UN packaging requirements for Class 4.1 substances, using approved containers that prevent leakage and contamination. Transport documents must include proper shipping names, hazard classes, and emergency response information. Vehicles transporting this substance should carry appropriate emergency equipment and drivers must be trained in hazardous materials transport procedures according to ADR regulations.

Is 4-nitrosophenol subject to specific regulations?

4-nitrosophenol is subject to comprehensive European chemical regulations including REACH registration requirements and CLP classification obligations. While not currently listed as a SVHC (Substance of Very High Concern), its Muta. 2 classification means it falls under strict regulatory oversight. Companies handling this substance must comply with worker protection regulations, environmental discharge limits, and proper classification and labeling requirements. Regular monitoring and risk assessment documentation may be required depending on usage volumes and applications.

Where to buy 4-nitrosophenol in Europe?

4-nitrosophenol is available through specialized chemical distributors across Europe, with OYSI serving as a reliable European supplier for this regulated substance. As a professional chemical distributor, OYSI ensures compliance with all relevant European regulations including REACH registration and proper documentation. When sourcing 4-nitrosophenol, it's essential to work with established suppliers who provide complete safety data sheets, certificates of analysis, and regulatory compliance documentation to ensure safe and legal procurement of this hazardous material.

Data Sources

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