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 properties. This highly energetic chemical substance belongs to the family of trinitrobenzene derivatives and serves as an important intermediate in specialized industrial applications. With its molecular formula C7H5N3O6 and molecular weight of 227.13 g/mol, this compound exhibits the characteristic properties of nitroaromatic explosives, including extreme sensitivity to impact, friction, and heat. The presence of three nitro groups attached to the benzene ring, combined with a methyl substituent, creates a molecule with substantial explosive potential classified under ADR Class 1. The compound presents significant safety challenges due to its classification as Explosive 1.1, indicating mass explosion hazard, alongside acute toxicity concerns affecting multiple exposure routes. Its hazard profile includes potential for serious organ damage through repeated exposure (STOT RE 2) and chronic aquatic toxicity. The GHS pictograms GHS01, GHS06, GHS08, and GHS09 reflect these diverse hazard categories, requiring specialized handling protocols and storage conditions. Industrial applications primarily focus on specialized explosive formulations and as a chemical intermediate in the synthesis of other energetic materials. Like related compounds such as 1,3,5-trinitrobenzene, it finds use in research and development of advanced explosive systems and propellants. The compound also serves in analytical chemistry as a reference standard for explosive detection and characterization studies. Due to its hazardous nature, this substance requires expert handling and compliance with stringent transportation and storage regulations. OYSI provides this specialized chemical to qualified industrial customers with appropriate safety certifications and handling capabilities.

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 aromatic compound with the molecular formula C7H5N3O6 and CAS number 118-96-7. This chemical features a benzene ring substituted with one methyl group and three nitro groups, giving it a molecular weight of 227.13 g/mol. It belongs to the class of nitroaromatic compounds and is classified as an explosive substance (Expl. 1.1) with significant safety hazards including acute toxicity and chronic health effects.

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 yellow color. The compound has limited water solubility due to its aromatic nature but may dissolve in organic solvents. Its three nitro groups make it highly explosive and sensitive to heat, friction, and impact. The molecular structure consists of a benzene ring with nitro substituents at positions 1, 3, and 5, and a methyl group at position 2.

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

2-methyl-1,3,5-trinitrobenzene is primarily used in specialized industrial applications requiring explosive properties. It serves as an intermediate in the synthesis of other explosive compounds and may be used in military or mining applications. Due to its hazardous classification (Expl. 1.1), its use is strictly regulated and limited to authorized facilities with proper safety measures. Industrial applications require specialized handling procedures and appropriate safety certifications for procurement and use.

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 (Expl. 1.1). Personnel must wear appropriate PPE including safety goggles, protective clothing, and work in well-ventilated areas away from heat sources, sparks, and friction. Only trained professionals should handle this substance using specialized equipment designed for explosive materials. All handling procedures must comply with local explosive regulations and emergency response plans must be in place.

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 meet strict regulatory requirements. Storage areas should be cool, dry, well-ventilated, and isolated from incompatible materials, heat sources, and ignition sources. The compound should be kept in original containers with appropriate labeling and stored away from acids, bases, and reducing agents. Access must be restricted to authorized personnel only, with proper inventory tracking and security measures in place.

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

Immediate action is required following contact with 2-methyl-1,3,5-trinitrobenzene due to its acute toxicity classification. For skin contact, remove contaminated clothing and wash thoroughly with soap and water. In case of eye contact, flush immediately with clean water for at least 15 minutes. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. 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 follow strict hazardous waste regulations due to its explosive and toxic properties. The substance cannot be disposed of through normal waste channels and requires specialized explosive waste disposal services. Contact licensed hazardous waste disposal companies with explosive handling capabilities. All disposal activities must comply with local environmental regulations and explosive ordinances. Never attempt to dispose of this material without proper authorization and expertise.

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

2-methyl-1,3,5-trinitrobenzene is classified under ADR Class 1 (explosives) and requires specialized dangerous goods transportation procedures. Only certified carriers with explosive transport permits can handle shipments. The substance must be packaged in UN-approved containers with proper explosive labels and documentation. Transport vehicles require special equipment and routing restrictions apply. All transport activities must comply with ADR regulations and require appropriate permits and trained personnel.

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

2-methyl-1,3,5-trinitrobenzene is subject to extensive regulations including CLP classification as Expl. 1.1 and multiple hazard classes. REACH registration requirements apply for commercial use within the EU. Additional explosive regulations govern its manufacture, storage, transport, and use. The substance is not currently listed as an SVHC but falls under strict controlled substance regulations due to its explosive nature. Users must obtain proper permits and comply with national explosive ordinances.

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

2-methyl-1,3,5-trinitrobenzene is available through specialized chemical distributors like OYSI, which serves the European market with technical-grade chemicals. Due to its explosive classification, purchase requires proper authorization, permits, and compliance with explosive regulations. OYSI can provide guidance on regulatory requirements and proper documentation needed for procurement. Contact OYSI directly to discuss availability, specifications, and regulatory compliance for your specific application requirements in the European market.

Data Sources

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