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 organic synthesis applications. This organic compound, with the molecular formula C6H5NO2 and a molecular weight of 123.11 g/mol, represents an important intermediate in various chemical processes. The compound features a phenol ring substituted with a nitroso group at the para position, giving it unique properties that make it valuable in specialized industrial applications. Its European classification number EC 203-251-6 ensures proper identification across regulatory frameworks. From a safety perspective, 4-nitrosophenol requires careful handling due to its classification under multiple hazard categories. The compound is classified as Muta. 2 (mutagenic category 2), Acute Tox. 4 (acute toxicity category 4), Eye Dam. 1 (eye damage category 1), and Aquatic Chronic 2 (chronic aquatic toxicity category 2). The corresponding GHS pictograms GHS08, GHS07, GHS05, and GHS09 indicate health hazards, toxicity, corrosive properties, and environmental concerns respectively. Transportation falls under ADR class 4.1, designating it as a flammable solid requiring appropriate shipping protocols. Industrial applications of 4-nitrosophenol include its use as an intermediate in pharmaceutical synthesis, particularly in the production of certain drug compounds. The compound also serves as a chemical reagent in analytical chemistry and as a building block for specialty chemicals manufacturing. In some applications, it may be considered alongside other chemical intermediates such as 2-bromo-2-nitropropane-1,3-diol for comparative synthetic pathways. OYSI maintains availability of 4-nitrosophenol to meet European industrial requirements, supporting customers with technical-grade material and comprehensive regulatory documentation.

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, featuring a phenol ring with a nitroso group (-NO) attached at the para position. This compound has a molecular weight of 123.11 g/mol and is classified as a hazardous substance with mutagenic properties and acute toxicity potential.

What are the physicochemical properties of 4-nitrosophenol?

4-nitrosophenol is typically a solid crystalline compound at room temperature with a characteristic yellow to brown coloration. The nitroso group gives it distinctive chemical reactivity, making it sensitive to light and heat. It exhibits moderate solubility in organic solvents and limited water solubility. The compound is prone to decomposition under certain conditions and may undergo tautomeric equilibrium with its quinone oxime form.

What is 4-nitrosophenol used for?

4-nitrosophenol serves primarily as a chemical intermediate in organic synthesis and pharmaceutical research. It is used in the production of dyes, pigments, and other aromatic compounds. The compound also finds application in analytical chemistry as a reagent for certain detection methods. Additionally, it may be utilized in research laboratories for studying nitrosation reactions and as a precursor for synthesizing more complex organic molecules.

How to handle 4-nitrosophenol safely?

4-nitrosophenol requires careful handling due to its mutagenic properties and acute toxicity. Personal protective equipment including chemical-resistant gloves, safety goggles, and laboratory coats must be worn. Work should be conducted in well-ventilated areas or under fume hoods to avoid inhalation exposure. Avoid skin and eye contact, and prevent dust formation during handling. Regular safety training and adherence to laboratory safety protocols are essential when working with this substance.

How to store 4-nitrosophenol correctly?

4-nitrosophenol should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. The compound must be kept in tightly sealed, chemically compatible containers to prevent moisture absorption and contamination. Storage areas should be equipped with appropriate containment measures and restricted access. Keep away from incompatible materials such as strong oxidizers and bases. Regular inspection of storage containers is recommended to ensure integrity.

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

4-nitrosophenol contact requires immediate action due to its hazardous properties. In case of skin contact, immediately remove contaminated clothing and rinse the affected area with copious amounts of water for at least 15 minutes. For eye contact, flush eyes thoroughly with clean water and seek immediate medical attention due to potential eye damage. If inhaled, move the person to fresh air immediately. Contact emergency services and poison control centers as necessary.

How to dispose of 4-nitrosophenol appropriately?

4-nitrosophenol disposal must comply with local and international hazardous waste regulations due to its toxic and mutagenic properties. The compound cannot be disposed of through regular waste streams and requires specialized hazardous waste treatment. Contact licensed waste disposal companies experienced in handling toxic organic compounds. Incineration at high temperatures in approved facilities is typically the recommended disposal method. Maintain proper documentation and disposal records as required by regulations.

How to transport 4-nitrosophenol?

4-nitrosophenol is classified under ADR Class 4.1 as a flammable solid, requiring specific transportation protocols. Packages must be properly labeled with appropriate hazard symbols and shipping documentation. Transport vehicles should be equipped with suitable containment measures and emergency equipment. Drivers must have proper training for hazardous materials transport. Compliance with international shipping regulations including proper packaging, marking, and documentation is mandatory for safe transport.

Is 4-nitrosophenol subject to specific regulations?

4-nitrosophenol is subject to various regulatory frameworks including REACH registration requirements in Europe and CLP classification regulations. The compound is classified with multiple hazard categories including mutagenicity category 2, requiring specific labeling and safety data sheets. While not currently listed as an SVHC substance, its mutagenic properties place it under strict regulatory oversight. Users must comply with occupational exposure limits and workplace safety regulations when handling this substance.

Where to buy 4-nitrosophenol in Europe?

4-nitrosophenol is available through OYSI, a specialized European distributor of technical chemicals. As an established chemical supplier, OYSI provides this compound to qualified industrial and research customers across Europe. Due to the hazardous nature of 4-nitrosophenol, purchases typically require proper documentation, safety credentials, and compliance with regulatory requirements. Contact OYSI directly for availability, technical specifications, and regulatory compliance support for your specific application needs.

Data Sources

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