3-methyl-2,4,6-trinitrophenol

C7H5N3O7

CAS602-99-3
GHS01 Gefahrensymbol: Explosionsgefährlich – Explodierende Bombe
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
Danger

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Identification

CAS Number
602-99-3
EC Number
210-027-1
UN Number
0216
Index Number
609-012-00-6
PubChem CID
11772

Physical-chemical properties

Molecular Formula
C7H5N3O7
Molar Mass
243.13 g/mol
IUPAC Name
3-methyl-2,4,6-trinitrophenol

Chemical Identifiers

InChI
InChI=1S/C7H5N3O7/c1-3-4(8(12)13)2-5(9(14)15)7(11)6(3)10(16)17/h2,11H,1H3
InChI Key
YYGJRRYSYLLCQH-UHFFFAOYSA-N

Overview

3-methyl-2,4,6-trinitrophenol (CAS 602-99-3) is a nitroaromatic explosive compound with high sensitivity and potent detonation properties. This highly energetic chemical compound belongs to the family of trinitrophenol derivatives, characterized by three nitro groups attached to a phenolic ring structure with an additional methyl substituent. The molecular formula C7H5N3O7 and molecular weight of 243.13 g/mol reflect its dense nitro-substituted aromatic structure, which directly contributes to its explosive characteristics. The compound is classified under the most restrictive explosive category (Expl. 1.1) according to GHS standards, indicating its potential for mass explosion hazards. The presence of multiple nitro groups makes 3-methyl-2,4,6-trinitrophenol extremely sensitive to heat, friction, and impact, requiring specialized handling protocols and storage conditions. Its acute toxicity classification (Acute Tox. 4) across multiple exposure routes necessitates comprehensive safety measures during manufacturing, transport, and application processes. The compound shares structural similarities with related nitroaromatic explosives such as 2,4,6-trinitrobenzene-1,3-diol, though the methyl substitution pattern influences its specific detonation characteristics and stability profile. Primary industrial applications include specialized explosive formulations for mining operations, military ordnance applications, and controlled demolition processes where precise detonation timing is critical. The compound also serves as an intermediate in the synthesis of other energetic materials and finds limited use in analytical chemistry as a reference standard for explosive detection methods. OYSI maintains availability of 3-methyl-2,4,6-trinitrophenol through its specialized energetic materials division, ensuring compliance with all relevant European regulations governing explosive substances distribution.

Safety & Classification

Danger
Classification:

Expl. 1.1; Acute Tox. 4 *; Acute Tox. 4 *; Acute Tox. 4 *

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H201

Explosive; mass explosion hazard.

H332

Harmful if inhaled.

H312

Harmful in contact with skin.

H302

Harmful if swallowed.

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

Harmful

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

Harmful

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

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 Number0216
ADR Class1
Packing Group
Tunnel CodeB1000C
Proper Shipping NameTrinitro-m-cresol, nicht pulverförmig
Marine PollutantNo

Frequently Asked Questions

What is 3-methyl-2,4,6-trinitrophenol?

3-methyl-2,4,6-trinitrophenol is an explosive nitroaromatic compound with the molecular formula C7H5N3O7 and CAS number 602-99-3. This substance belongs to the trinitrophenol family and is classified as a Class 1.1 explosive with acute toxicity properties. With a molecular weight of 243.13 g/mol, it presents significant safety hazards requiring specialized handling and storage procedures due to its explosive nature and toxic effects.

What are the physicochemical properties of 3-methyl-2,4,6-trinitrophenol?

3-methyl-2,4,6-trinitrophenol is a crystalline solid at room temperature with a molecular weight of 243.13 g/mol. As a nitroaromatic compound, it typically appears as yellow crystals and exhibits limited water solubility. The presence of three nitro groups and a methyl substituent on the phenolic ring contributes to its explosive characteristics and chemical instability, particularly when exposed to heat, friction, or shock.

What is 3-methyl-2,4,6-trinitrophenol used for?

3-methyl-2,4,6-trinitrophenol is primarily used in specialized applications requiring explosive compounds, including research and development in energetic materials. Its applications are highly restricted due to its explosive classification (Expl. 1.1) and acute toxicity. Industrial uses are limited to controlled environments with appropriate safety measures and regulatory compliance. The compound may also serve analytical and research purposes in academic or industrial laboratories studying explosive materials.

How to handle 3-methyl-2,4,6-trinitrophenol safely?

3-methyl-2,4,6-trinitrophenol requires extreme caution due to its explosive and toxic properties. Essential safety measures include wearing appropriate personal protective equipment (PPE) such as explosion-proof clothing, safety goggles, and respiratory protection. Avoid friction, impact, static electricity, and heat sources. Work in well-ventilated areas with explosion-proof equipment. Only trained personnel should handle this substance, following strict protocols for explosive materials and emergency procedures.

How to store 3-methyl-2,4,6-trinitrophenol correctly?

3-methyl-2,4,6-trinitrophenol must be stored in specialized explosive storage facilities meeting regulatory requirements for Class 1.1 materials. Storage conditions should maintain stable, cool temperatures away from heat sources, incompatible materials, and potential ignition sources. The storage area must be secure, properly ventilated, and equipped with appropriate fire suppression systems. Containers should be explosion-proof and clearly labeled with hazard warnings according to GHS requirements.

What to do in case of contact with 3-methyl-2,4,6-trinitrophenol?

Immediate action is required following contact with 3-methyl-2,4,6-trinitrophenol due to its acute toxicity. For skin contact, remove contaminated clothing and rinse affected area thoroughly with water for at least 15 minutes. In case of inhalation, move to fresh air immediately. For eye contact, flush with water continuously. Seek medical attention immediately in all cases. Do not induce vomiting if ingested and contact emergency services while providing safety data sheet information.

How to dispose of 3-methyl-2,4,6-trinitrophenol appropriately?

3-methyl-2,4,6-trinitrophenol disposal requires specialized hazardous waste management procedures due to its explosive and toxic classification. Disposal must be conducted by licensed hazardous waste contractors experienced in explosive materials handling. The substance cannot be disposed of through normal waste streams and requires specific neutralization or destruction methods. All disposal activities must comply with local and European waste regulations, including proper documentation and tracking requirements.

How to transport 3-methyl-2,4,6-trinitrophenol?

3-methyl-2,4,6-trinitrophenol is classified as dangerous goods under ADR Class 1 (explosives) for transportation purposes. Transport requires specialized explosive transport licenses, appropriate packaging meeting UN specifications, and proper hazard labeling with GHS01 and GHS07 pictogramms. Only authorized carriers with explosive transport permits can handle shipments. Documentation must include proper shipping names, hazard classes, and emergency response information according to international dangerous goods regulations.

Is 3-methyl-2,4,6-trinitrophenol subject to specific regulations?

3-methyl-2,4,6-trinitrophenol is subject to extensive regulatory oversight under multiple European frameworks. It falls under REACH registration requirements, CLP classification as Expl. 1.1 and Acute Tox. 4, and explosive regulations. While not currently listed as SVHC, its explosive and toxic properties require compliance with specialized handling, storage, and transport regulations. Additional restrictions may apply depending on intended use and quantities, requiring proper authorization and safety assessments.

Where to buy 3-methyl-2,4,6-trinitrophenol in Europe?

3-methyl-2,4,6-trinitrophenol is available through OYSI, a specialized European distributor of technical chemicals with expertise in hazardous materials. Due to its explosive classification and regulatory requirements, procurement requires proper licensing and compliance verification. OYSI provides technical support and ensures proper handling procedures for this controlled substance. Customers must demonstrate legitimate use and maintain appropriate safety certifications for purchasing and handling explosive materials.

Data Sources

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