Potassium 2-methyl-4,6-dinitrophenolate

C7H5KN2O5

potassium 2-methyl-4,6-dinitrophenolate

CAS5787-96-2
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
5787-96-2
EC Number
219-007-7
UN Number
0132
Index Number
609-021-00-5
PubChem CID
44144842

Physical-chemical properties

Molecular Formula
C7H5KN2O5
Molar Mass
236.22 g/mol
IUPAC Name
potassium 2-methyl-4,6-dinitrophenolate

Chemical Identifiers

InChI
InChI=1S/C7H6N2O5.K/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14;/h2-3,10H,1H3;/q;+1/p-1
InChI Key
ZSUHWKOUWKJIOR-UHFFFAOYSA-M

Overview

Potassium 2-methyl-4,6-dinitrophenolate (CAS 5787-96-2) is an explosive nitrophenol salt with high toxicity and environmental hazard properties. This potassium salt of a substituted dinitrophenol represents a significant chemical hazard requiring specialized handling protocols due to its classification under ADR Class 1 explosives. With the molecular formula C7H5KN2O5 and a molecular weight of 236.22 g/mol, this compound exhibits multiple acute toxicity pathways and poses serious environmental risks to aquatic ecosystems. The presence of both methyl and dinitro substituents on the phenolic ring creates a highly energetic structure that contributes to its explosive nature. The compound carries the GHS signal word "Danger" and displays pictograms GHS06 (skull and crossbones), GHS08 (health hazard), and GHS09 (environmental hazard), reflecting its acute toxicity through multiple exposure routes and potential for specific target organ toxicity following repeated exposure. Its classification as Aquatic Acute 1 and Aquatic Chronic 1 indicates severe immediate and long-term effects on aquatic life. Unlike simpler aromatic compounds such as N-methylaniline, this dinitrophenolate salt requires extreme caution in storage and transportation due to its explosive classification. Industrial applications typically include specialized chemical synthesis processes where controlled explosive properties are required, pyrotechnic formulations under strict regulatory compliance, and as an intermediate in the production of other energetic materials. The compound's unique reactivity profile makes it valuable in specific niche applications within the explosives and specialty chemicals sectors. OYSI maintains availability of potassium 2-methyl-4,6-dinitrophenolate for qualified industrial customers with appropriate handling certifications and regulatory compliance documentation.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *; Acute Tox. 3 *; Acute Tox. 3 *; STOT RE 2 *; 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.

H373

May cause damage to organs through prolonged or repeated exposure.

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 Number0132
ADR Class1
Packing Group
Tunnel CodeC5000D
Proper Shipping NameKalium-4,6-dinitro-o-cresolat, nicht desensibilisiert
Marine PollutantNo

Frequently Asked Questions

What is potassium 2-methyl-4,6-dinitrophenolate?

Potassium 2-methyl-4,6-dinitrophenolate is a chemical compound with the molecular formula C7H5KN2O5 and CAS number 5787-96-2. This substance is the potassium salt of 2-methyl-4,6-dinitrophenol, with a molecular weight of 236.22 g/mol. It is classified as a hazardous chemical with acute toxicity properties and environmental hazard characteristics, requiring careful handling and specialized safety measures.

What are the physicochemical properties of potassium 2-methyl-4,6-dinitrophenolate?

Potassium 2-methyl-4,6-dinitrophenolate is typically a crystalline solid at room temperature with characteristic properties of nitrophenolate salts. As a potassium salt, it generally exhibits good water solubility compared to its acid form. The compound contains nitro groups which contribute to its chemical reactivity and hazard profile. Specific physical properties like melting point and density may vary depending on the grade and crystalline form.

What is potassium 2-methyl-4,6-dinitrophenolate used for?

Potassium 2-methyl-4,6-dinitrophenolate is primarily used as an intermediate in chemical synthesis and manufacturing processes. Its applications may include use in the production of dyes, pigments, or other organic compounds where nitrophenolate chemistry is required. The compound's specific structure makes it valuable for specialized chemical reactions in pharmaceutical or agrochemical industries, though its high toxicity limits its use to professional industrial applications.

How to handle potassium 2-methyl-4,6-dinitrophenolate safely?

Potassium 2-methyl-4,6-dinitrophenolate requires strict safety measures due to its Acute Tox. 3 classification and STOT RE 2 properties. Essential protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas. Work should be conducted in fume hoods when possible, avoiding skin and eye contact completely. Emergency shower and eyewash stations must be readily accessible during handling operations.

How to store potassium 2-methyl-4,6-dinitrophenolate correctly?

Potassium 2-methyl-4,6-dinitrophenolate must be stored in a cool, dry, well-ventilated area away from incompatible materials. Given its ADR Class 1 classification, special explosive storage regulations apply. The compound should be kept in original containers, protected from physical shock, heat sources, and moisture. Storage areas must comply with local regulations for explosive materials and be equipped with appropriate safety systems and restricted access.

What to do in case of contact with potassium 2-methyl-4,6-dinitrophenolate?

Immediate action is required for any contact with potassium 2-methyl-4,6-dinitrophenolate due to its acute toxicity. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes. If inhaled, move to fresh air immediately. Seek medical attention promptly in all exposure cases and provide safety data sheet to medical personnel.

How to dispose of potassium 2-methyl-4,6-dinitrophenolate appropriately?

Potassium 2-methyl-4,6-dinitrophenolate waste must be disposed of through licensed hazardous waste contractors due to its toxicity and explosive classification. The compound cannot be disposed of in regular waste streams and requires specialized treatment facilities. All disposal must comply with local and European waste regulations, including proper waste classification codes. Container residues should be treated as hazardous waste and handled by qualified personnel only.

How to transport potassium 2-methyl-4,6-dinitrophenolate?

Potassium 2-methyl-4,6-dinitrophenolate is classified under ADR Class 1 as dangerous goods, requiring specialized explosive transport procedures. Transportation must comply with ADR regulations including proper packaging, labeling, and documentation. Only certified carriers with explosive transport permits can handle shipments. Vehicles must be equipped with appropriate safety equipment and drivers must hold ADR certification for Class 1 materials.

Is potassium 2-methyl-4,6-dinitrophenolate subject to specific regulations?

Potassium 2-methyl-4,6-dinitrophenolate is subject to multiple European regulations including CLP for classification and labeling, and ADR for transport as Class 1 dangerous goods. The substance requires safety data sheets under REACH regulation and may be subject to additional national restrictions due to its explosive and toxic properties. Industrial users must comply with workplace safety regulations and environmental protection requirements for aquatic hazards.

Where to buy potassium 2-methyl-4,6-dinitrophenolate in Europe?

Potassium 2-methyl-4,6-dinitrophenolate is available through OYSI, a specialized European distributor of technical chemicals. As a controlled substance with explosive and toxic properties, it is only supplied to qualified industrial customers with proper licensing and safety infrastructure. OYSI ensures full regulatory compliance and provides complete documentation including safety data sheets and transport certifications for professional applications.

Data Sources

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