1-methyl-3,5-dinitrobenzene

C7H6N2O4

CAS618-85-9
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
Danger

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Identification

CAS Number
618-85-9
EC Number
210-566-2
UN Number
3454
Index Number
609-052-00-4
PubChem CID
12067

Physical-chemical properties

Molecular Formula
C7H6N2O4
Molar Mass
182.13 g/mol
IUPAC Name
1-methyl-3,5-dinitrobenzene

Chemical Identifiers

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

Overview

1-methyl-3,5-dinitrobenzene (CAS 618-85-9) is an aromatic nitro compound with significant industrial applications and notable safety considerations. This dinitrotoluene isomer represents an important class of nitroaromatic chemicals widely utilized in industrial synthesis and chemical manufacturing. With the molecular formula C7H6N2O4 and a molecular weight of 182.13 g/mol, 1-methyl-3,5-dinitrobenzene features two nitro groups positioned at the 3 and 5 positions relative to the methyl substituent on the benzene ring. This specific substitution pattern distinguishes it from related compounds such as 1-methyl-2,4-dinitrobenzene, which exhibits different reactivity and application profiles due to its alternative nitro group positioning. The compound's hazard classification requires careful handling protocols, as it carries multiple safety concerns including carcinogenicity (Category 1B), mutagenicity (Category 2), and reproductive toxicity (Category 2). The presence of GHS08 and GHS06 pictograms along with the "Danger" signal word emphasizes the need for appropriate personal protective equipment and controlled working environments. Its ADR classification of 6.1 indicates toxic substance requirements for transportation and storage. In industrial applications, 1-methyl-3,5-dinitrobenzene serves primarily as an intermediate in organic synthesis, particularly in the production of dyes, pigments, and pharmaceutical precursors. The chemical industry also utilizes this compound in the manufacture of specialized polymers and as a building block for various fine chemicals. Its reactivity profile makes it valuable in reduction reactions leading to corresponding amine derivatives. Similar to other dinitrotoluene isomers like 2-methyl-1,3-dinitrobenzene, this compound requires specialized handling expertise and regulatory compliance management. OYSI provides this technical chemical to qualified industrial customers with comprehensive safety documentation and regulatory support.

Safety & Classification

Danger
Classification:

Carc. 1B; Muta. 2; Repr. 2; Acute Tox. 3 *; Acute Tox. 3 *; Acute Tox. 3 *; STOT RE 2 *; Aquatic ...

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H350

May cause cancer.

H341

Suspected of causing genetic defects.

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.

H412

Harmful 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 Number3454
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping Name3,5-Dinitrotoluen, fest
Marine PollutantNo

Frequently Asked Questions

What is 1-methyl-3,5-dinitrobenzene?

1-methyl-3,5-dinitrobenzene is an aromatic nitro compound with the molecular formula C7H6N2O4 and CAS number 618-85-9. This chemical features 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 dinitrotoluene family and is classified as a highly hazardous substance due to its carcinogenic, mutagenic, and reproductive toxicity properties.

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

1-methyl-3,5-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 distinctive chemical odor and demonstrates stability under normal conditions, though it can be sensitive to heat, friction, and certain chemical reactions due to the presence of nitro groups.

What is 1-methyl-3,5-dinitrobenzene used for?

1-methyl-3,5-dinitrobenzene serves primarily as an intermediate in chemical synthesis and manufacturing processes. It is commonly used in the production of dyes, pigments, and pharmaceutical intermediates. The compound also finds applications in the manufacture of explosives and propellants due to its nitro group functionality. Additionally, it may be utilized in research and development activities within the chemical industry for specialized synthesis reactions requiring dinitro aromatic compounds.

How to handle 1-methyl-3,5-dinitrobenzene safely?

1-methyl-3,5-dinitrobenzene requires extreme caution during handling due to its high toxicity profile. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas or fume hoods. Workers must avoid skin contact, inhalation, and ingestion. Given its carcinogenic and mutagenic properties, minimize exposure time and implement strict hygiene measures. Only trained personnel should handle this substance following established safety protocols and emergency procedures.

How to store 1-methyl-3,5-dinitrobenzene correctly?

1-methyl-3,5-dinitrobenzene must be stored in a cool, dry, well-ventilated area away from heat sources, direct sunlight, and incompatible materials. Use tightly sealed containers made of compatible materials to prevent contamination and vapor release. The storage area should be equipped with appropriate spill containment measures and restricted access due to the substance's high toxicity. Maintain temperatures below recommended limits and ensure proper labeling with hazard information and emergency contact details.

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

Immediate action is crucial following contact with 1-methyl-3,5-dinitrobenzene. For skin contact, remove contaminated clothing and wash thoroughly with soap and water for at least 15 minutes. If inhaled, move to fresh air immediately and seek medical attention. In case of eye contact, flush with clean water for 15 minutes. For ingestion, do not induce vomiting and seek immediate medical care. Always consult a physician after any exposure and provide them with the safety data sheet.

How to dispose of 1-methyl-3,5-dinitrobenzene properly?

1-methyl-3,5-dinitrobenzene disposal must comply with local, national, and international hazardous waste regulations due to its high toxicity and environmental impact. The substance requires treatment by licensed hazardous waste disposal companies using appropriate methods such as high-temperature incineration or specialized chemical treatment. Never dispose of this material through regular waste streams, sewers, or soil. Maintain proper documentation of disposal activities and ensure containers are properly labeled before transfer to waste management facilities.

How to transport 1-methyl-3,5-dinitrobenzene?

1-methyl-3,5-dinitrobenzene is classified under ADR class 6.1 (toxic substances), packing group II, indicating its high toxicity level for transport purposes. Transportation requires specialized packaging meeting UN specifications, proper labeling with GHS pictograms (GHS06, GHS08), and accompanying documentation including transport emergency cards. Only authorized carriers with appropriate training and equipment should handle shipments. Vehicles must display proper placarding and follow designated routes while maintaining emergency response capabilities throughout transport.

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

1-methyl-3,5-dinitrobenzene is subject to extensive regulatory oversight under multiple frameworks including REACH registration requirements in Europe and CLP classification regulations. The substance carries classification as Carcinogenic 1B, Mutagenic 2, and Reproductive toxicant 2, triggering strict handling and reporting obligations. Companies must comply with occupational exposure limits, environmental discharge restrictions, and worker protection standards. Authorization may be required for certain uses, and regulatory authorities must be notified of significant quantities or incidents involving this substance.

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

OYSI serves as a reliable European distributor for 1-methyl-3,5-dinitrobenzene, providing this specialized chemical to qualified industrial customers across Europe. As an established chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for this highly regulated substance. Due to the compound's hazardous nature and regulatory requirements, purchases are restricted to qualified businesses with appropriate facilities, training, and safety measures. Contact OYSI directly to discuss availability, specifications, and regulatory requirements for your specific application.

Data Sources

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