1-methyl-2,3-dinitrobenzene

C7H6N2O4

CAS25321-14-6

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Identification

CAS Number
25321-14-6
EC Number
246-836-1
UN Number
2038
Index Number
609-007-00-9
PubChem CID
11761

Physical-chemical properties

Molecular Formula
C7H6N2O4
Molar Mass
182.13 g/mol
IUPAC Name
1-methyl-2,3-dinitrobenzene

Chemical Identifiers

InChI
InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3
InChI Key
DYSXLQBUUOPLBB-UHFFFAOYSA-N

Overview

1-methyl-2,3-dinitrobenzene (CAS 602-01-7) is an aromatic nitro compound with high toxicity and mutagenic properties. This dinitrotoluene isomer represents a significant industrial chemical intermediate characterized by its benzene ring structure substituted with a methyl group and two nitro groups in adjacent positions. With the molecular formula C7H6N2O4 and a molecular weight of 182.13 g/mol, this compound exhibits distinct chemical reactivity patterns that make it valuable for specific synthetic applications while requiring stringent safety protocols. The substance presents considerable hazard classification including carcinogenicity (Category 1B), mutagenicity (Category 2), and reproductive toxicity (Category 2), along with acute toxicity across multiple exposure routes. These properties necessitate specialized handling procedures and comprehensive risk management systems. The ADR classification of 6.1 reflects its toxic nature for transportation purposes, while GHS pictograms GHS08, GHS06, and GHS09 indicate health hazards, acute toxicity, and environmental dangers respectively. Industrial applications primarily focus on chemical synthesis and manufacturing processes where its reactive nitro groups serve as key functional elements. The compound finds use in pharmaceutical intermediate production and specialty chemical manufacturing, where its specific substitution pattern offers advantages over related isomers like 1-methyl-2,4-dinitrobenzene. Additionally, it serves in research and development applications for organic synthesis methodologies. The compound belongs to the broader family of dinitrotoluenes, sharing structural similarities with 4-methyl-1,2-dinitrobenzene, though each isomer exhibits unique reactivity profiles and application specificity. OYSI maintains reliable supply chains for 1-methyl-2,3-dinitrobenzene, ensuring consistent availability for qualified industrial customers across European markets with full regulatory compliance and technical support.

Safety & Classification

No Hazard Classification

This substance is not classified as hazardous according to CLP Regulation (EC) No 1272/2008.

Transport (ADR)

UN Number2038
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping NameDinitrotoluene, Isomere oder Isomerengemisch, flüssig
Marine PollutantNo

Frequently Asked Questions

What is 1-methyl-2,3-dinitrobenzene?

1-methyl-2,3-dinitrobenzene is an aromatic nitro compound with the molecular formula C7H6N2O4 and CAS number 602-01-7. This chemical consists of a benzene ring substituted with one methyl group and two nitro groups in specific positions. With a molecular weight of 182.13 g/mol, it belongs to the class of dinitrotoluene isomers and is classified as highly hazardous due to its carcinogenic, mutagenic, and toxic properties.

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

1-methyl-2,3-dinitrobenzene is typically a crystalline solid at room temperature with a yellowish appearance. As an aromatic nitro compound, it exhibits limited water solubility but dissolves well in organic solvents such as alcohols and aromatic hydrocarbons. The compound has a characteristic chemical odor and demonstrates stability under normal conditions, though it requires careful handling due to its hazardous classification and potential for decomposition under extreme conditions.

What is 1-methyl-2,3-dinitrobenzene used for?

1-methyl-2,3-dinitrobenzene serves primarily as a chemical intermediate in the synthesis of various industrial compounds. It is used in the production of dyes, pigments, and pharmaceutical intermediates. The compound also finds application in the manufacture of explosives and as a precursor for other nitroaromatic compounds. Due to its hazardous classification, its use is strictly controlled and limited to specialized industrial processes with appropriate safety measures.

How to handle 1-methyl-2,3-dinitrobenzene safely?

1-methyl-2,3-dinitrobenzene requires strict safety protocols due to its acute toxicity and carcinogenic properties. Essential PPE includes chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas or under fume hoods. Avoid skin contact, inhalation, and ingestion completely. Work in designated areas with emergency shower and eyewash stations readily available. Regular health monitoring of workers is recommended due to the compound's STOT RE 2 classification.

How to store 1-methyl-2,3-dinitrobenzene correctly?

1-methyl-2,3-dinitrobenzene must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly sealed and protected from light to prevent degradation. Store separately from oxidizing agents, reducing agents, and combustible materials. The storage area should be equipped with appropriate containment measures and restricted access due to the compound's dangerous classification. Regular inspection of containers for integrity is essential.

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

Immediate action is critical upon contact with 1-methyl-2,3-dinitrobenzene due to its acute toxicity. For skin contact, remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately and seek medical attention. For eye contact, flush thoroughly with water and remove contact lenses if present. In case of ingestion, do not induce vomiting and seek immediate medical attention while providing the safety data sheet.

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

1-methyl-2,3-dinitrobenzene waste must be disposed of through licensed hazardous waste disposal facilities in accordance with local and European regulations. The compound cannot be disposed of in regular waste streams due to its dangerous classification and environmental hazard properties (GHS09). Waste should be collected in appropriate containers, properly labeled, and handled by certified waste management companies. Incineration at high temperatures in specialized facilities is typically the preferred disposal method.

How to transport 1-methyl-2,3-dinitrobenzene?

1-methyl-2,3-dinitrobenzene is classified under ADR Class 6.1 (toxic substances) Packing Group II, indicating significant transport restrictions. It requires appropriate UN packaging, proper labeling with hazard diamonds, and transport documentation including safety data sheets. Only certified carriers trained in hazardous materials transport should handle shipments. Vehicles must be equipped with appropriate emergency equipment and spill containment materials. Road transport regulations vary by country within Europe.

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

1-methyl-2,3-dinitrobenzene is subject to extensive European regulations including REACH registration requirements and CLP classification obligations. Its Carcinogenic 1B, Mutagenic 2, and Reproductive toxicity 2 classifications trigger strict workplace exposure limits and health surveillance requirements. While not currently listed as an SVHC, its hazardous properties mean it may be subject to authorization procedures or restrictions. Companies must comply with occupational safety directives and environmental protection regulations.

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

1-methyl-2,3-dinitrobenzene is available through OYSI, a specialized European distributor of technical chemicals with expertise in hazardous substances. As a professional chemical supplier, OYSI ensures proper packaging, documentation, and regulatory compliance for this dangerous compound. Due to its hazardous classification, purchase is typically restricted to qualified industrial users with appropriate handling facilities and safety protocols. Contact OYSI directly for availability, technical specifications, and regulatory guidance for your specific application.

Data Sources

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