2-methyl-1,3,5-trinitrobenzene

C7H5N3O6

CAS118-96-7
GHS01 Gefahrensymbol: Explosionsgefährlich – Explodierende Bombe
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
118-96-7
EC Number
204-289-6
UN Number
0209
Index Number
609-008-00-4
PubChem CID
8376

Physical-chemical properties

Molecular Formula
C7H5N3O6
Molar Mass
227.13 g/mol
IUPAC Name
2-methyl-1,3,5-trinitrobenzene

Chemical Identifiers

InChI
InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3
InChI Key
SPSSULHKWOKEEL-UHFFFAOYSA-N

Overview

2-methyl-1,3,5-trinitrobenzene (CAS 118-96-7) is a nitroaromatic explosive compound with high detonation sensitivity and significant toxicological hazards. This polynitrated aromatic compound, with the molecular formula C7H5N3O6 and a molecular weight of 227.13 g/mol, represents a critical material in specialized industrial applications requiring controlled explosive properties. The compound features a benzene ring substituted with three nitro groups and one methyl group, creating a highly energetic molecular structure that demands extreme caution in handling and storage. The substance exhibits Class 1.1 explosive characteristics under ADR classification, indicating mass explosion hazards that require specialized transportation protocols. Beyond its explosive properties, 2-methyl-1,3,5-trinitrobenzene presents multiple health risks, classified as Acute Tox. 3 through various exposure routes and STOT RE 2 for repeated exposure toxicity. The compound also poses environmental concerns with Aquatic Chronic 2 classification, necessitating careful waste management procedures. Safety protocols must address the full spectrum of GHS pictograms including explosive (GHS01), acute toxicity (GHS06), health hazard (GHS08), and environmental hazard (GHS09) warnings. Like related compounds such as 1,3,5-trinitrobenzene, this material requires specialized storage conditions away from heat, friction, and incompatible substances. Primary industrial applications include specialized explosive formulations, research and development in energetic materials, and as an intermediate in advanced chemical synthesis processes. The compound serves specific sectors requiring precise detonation characteristics under controlled conditions. OYSI maintains professional-grade 2-methyl-1,3,5-trinitrobenzene supplies for qualified industrial customers with appropriate handling capabilities and regulatory compliance frameworks.

Safety & Classification

Danger
Classification:

Expl. 1.1; Acute Tox. 3 *; Acute Tox. 3 *; Acute Tox. 3 *; STOT RE 2 *; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H201

Explosive; mass explosion 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.

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

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 Number0209
ADR Class1
Packing Group
Tunnel CodeB1000C
Proper Shipping NameTrinitrotoluen, geschuppt oder geprillt in trockenem Zustand
Marine PollutantNo

Frequently Asked Questions

What is 2-methyl-1,3,5-trinitrobenzene?

2-methyl-1,3,5-trinitrobenzene is an explosive organic compound with the molecular formula C7H5N3O6 and CAS number 118-96-7. This aromatic nitro compound features a benzene ring substituted with one methyl group and three nitro groups at specific positions. With a molecular weight of 227.13 g/mol, it belongs to the class of trinitroaromatic compounds and is classified as an explosive substance requiring careful handling due to its hazardous nature.

What are the physicochemical properties of 2-methyl-1,3,5-trinitrobenzene?

2-methyl-1,3,5-trinitrobenzene is typically a crystalline solid at room temperature with a pale yellow to light brown color. The compound has a molecular weight of 227.13 g/mol and contains three highly electronegative nitro groups that make it explosive and sensitive to shock, friction, and heat. Its aromatic structure with electron-withdrawing nitro groups affects its solubility properties, making it poorly soluble in water but more soluble in organic solvents.

What is 2-methyl-1,3,5-trinitrobenzene used for?

2-methyl-1,3,5-trinitrobenzene is primarily used as an explosive material in specialized industrial applications and military ordnance. Due to its explosive properties (classified as Expl. 1.1), it serves as a component in explosive formulations, detonators, and pyrotechnic devices. The compound may also be used in research and development activities related to energetic materials, though its applications are strictly regulated due to safety and security concerns.

How to handle 2-methyl-1,3,5-trinitrobenzene safely?

2-methyl-1,3,5-trinitrobenzene requires extreme caution during handling due to its explosive nature and toxicity. Essential safety measures include wearing appropriate personal protective equipment (PPE) such as explosion-proof clothing, safety glasses, and respiratory protection. Work should be conducted in specialized facilities with explosion-proof equipment, avoiding friction, shock, static electricity, and heat sources. Only trained personnel should handle this material, following strict safety protocols and emergency procedures.

How to store 2-methyl-1,3,5-trinitrobenzene correctly?

2-methyl-1,3,5-trinitrobenzene must be stored in specialized explosive storage facilities that comply with strict regulatory requirements. Storage areas should be temperature-controlled, dry, well-ventilated, and equipped with explosion-proof electrical systems. The compound should be kept away from heat sources, incompatible materials, and ignition sources. Containers must be properly labeled, and storage quantities should comply with local regulations for explosive materials, with appropriate security measures in place.

What to do in case of contact with 2-methyl-1,3,5-trinitrobenzene?

Immediate action is required in case of contact with 2-methyl-1,3,5-trinitrobenzene due to its acute toxicity. For skin contact, remove contaminated clothing and wash thoroughly with soap and water. In case of eye contact, rinse immediately with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always contact emergency services and provide the safety data sheet to medical personnel.

How to dispose of 2-methyl-1,3,5-trinitrobenzene appropriately?

2-methyl-1,3,5-trinitrobenzene disposal must be handled by specialized hazardous waste management companies licensed to handle explosive materials. The compound cannot be disposed of through normal waste streams due to its explosive and toxic properties. Disposal methods typically involve controlled detonation or specialized chemical treatment under strict safety conditions. All disposal activities must comply with local, national, and international regulations for explosive waste, requiring proper documentation and chain of custody procedures.

How to transport 2-methyl-1,3,5-trinitrobenzene?

2-methyl-1,3,5-trinitrobenzene is classified as a Class 1 dangerous good under ADR regulations for road transport. Transportation requires specialized explosive transport vehicles, trained drivers with hazardous materials certifications, and appropriate packaging that meets UN specifications for explosive materials. Shipments must be accompanied by proper documentation, emergency response information, and comply with routing restrictions. Only authorized carriers with explosive transport permits can handle this material.

Is 2-methyl-1,3,5-trinitrobenzene subject to specific regulations?

2-methyl-1,3,5-trinitrobenzene is subject to extensive regulations due to its explosive and toxic properties. Under EU CLP regulation, it requires hazard classification and labeling with GHS pictograms (GHS01, GHS06, GHS08, GHS09). The compound falls under explosive regulations, requiring licenses for possession, use, and distribution. Additional restrictions may apply under national security legislation, dual-use export controls, and workplace safety regulations, making compliance verification essential before handling.

Where to buy 2-methyl-1,3,5-trinitrobenzene in Europe?

2-methyl-1,3,5-trinitrobenzene is available through OYSI, a European distributor of specialized chemical products. Due to its explosive nature and regulatory restrictions, purchase requires proper licensing, end-use documentation, and compliance with applicable regulations. OYSI can provide guidance on regulatory requirements and proper handling procedures. Customers must demonstrate legitimate use, appropriate facilities, and qualified personnel before purchase approval, ensuring all safety and legal requirements are met throughout the supply chain.

Data Sources

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