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 a nitroaromatic compound with significant toxicological properties and industrial applications. This chemical substance, also known by its IUPAC designation 1-methyl-3,5-dinitrobenzene, belongs to the family of dinitrotoluene isomers characterized by a benzene ring substituted with one methyl group and two nitro groups in specific positions. With a molecular formula of C7H6N2O4 and molecular weight of 182.13 g/mol, this compound exhibits the typical properties of nitroaromatic chemicals while presenting distinct reactivity patterns due to its specific substitution pattern. The compound carries serious safety considerations, classified under multiple hazard categories including carcinogenicity (Carc. 1B), mutagenicity (Muta. 2), and reproductive toxicity (Repr. 2). Its acute toxicity profile (Acute Tox. 3) across multiple exposure routes, combined with specific target organ toxicity upon repeated exposure (STOT RE 2), necessitates rigorous handling protocols. The presence of GHS08 and GHS06 pictograms on safety labels emphasizes the health hazards and toxic nature of this material. Transportation is regulated under ADR Class 6.1, reflecting its classification as a toxic substance. In industrial applications, 1-methyl-3,5-dinitrobenzene serves primarily as a chemical intermediate in organic synthesis processes, particularly in the production of specialized dyes and pigments. The compound also finds use in the manufacture of explosives and propellants, where its energetic properties are utilized. Related compounds such as 1-methyl-2,4-dinitrobenzene share similar applications but offer different reactivity profiles due to their distinct substitution patterns. OYSI provides reliable access to 1-methyl-3,5-dinitrobenzene for qualified industrial customers, ensuring proper documentation and compliance with European chemical regulations.

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 consists of a benzene ring substituted with one methyl group and two nitro groups at positions 3 and 5. With a molecular weight of 182.13 g/mol, it belongs to the class of dinitrotoluene derivatives and is classified as a highly hazardous substance with 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 color. As an aromatic nitro compound, it has limited solubility in water but dissolves well in organic solvents such as alcohols, ethers, and aromatic hydrocarbons. The compound exhibits stability under normal conditions but may decompose under extreme heat or in the presence of strong reducing agents, potentially releasing toxic nitrogen oxides.

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

1-methyl-3,5-dinitrobenzene is primarily used as an intermediate in organic synthesis and chemical manufacturing processes. It serves as a precursor for the production of various chemical compounds including dyes, pigments, and pharmaceutical intermediates. Due to its highly hazardous classification, its use is restricted to specialized industrial applications where appropriate safety measures and regulatory compliance can be ensured by qualified professionals.

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

1-methyl-3,5-dinitrobenzene requires extreme caution during handling due to its carcinogenic and toxic properties. Essential personal protective equipment includes chemical-resistant gloves, protective clothing, eye protection, and respiratory protection in well-ventilated areas or fume hoods. All work should be conducted by trained personnel following strict safety protocols. Avoid skin contact, inhalation, and ingestion. Use only in designated areas with appropriate engineering controls and emergency procedures in place.

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. Keep containers tightly sealed and properly labeled in accordance with GHS requirements. Store separately from reducing agents, strong bases, and combustible materials. Access should be restricted to authorized personnel only, and storage areas must comply with local regulations for handling carcinogenic substances and provide appropriate containment measures.

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

Immediate action is required in case of contact with 1-methyl-3,5-dinitrobenzene. For skin contact, remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. In case of eye contact, flush thoroughly with water and seek immediate medical attention. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek urgent medical care. Always consult a physician and provide the safety data sheet for proper medical treatment.

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

1-methyl-3,5-dinitrobenzene waste must be disposed of through licensed hazardous waste disposal companies in accordance with local and European regulations. Due to its carcinogenic classification, it requires specialized treatment and cannot be disposed of through normal waste streams. Containerize waste properly, label clearly, and maintain documentation for regulatory compliance. Consult local environmental authorities for specific disposal requirements and approved disposal facilities in your region.

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

1-methyl-3,5-dinitrobenzene is classified under ADR as Class 6.1 (toxic substances), Packing Group II, indicating high toxicity requiring strict transport regulations. Transportation must comply with ADR/RID requirements including proper packaging, labeling with GHS06 and GHS08 pictograms, and documentation. Only authorized carriers with appropriate training and equipment should handle transport. Vehicles must carry emergency response information and appropriate spill containment materials during transit.

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

1-methyl-3,5-dinitrobenzene is subject to extensive European regulations including REACH registration requirements and CLP classification as Carcinogenic 1B, Mutagenic 2, and Reproductive toxicant 2. Its use may be restricted under various national and EU legislation governing carcinogenic substances. Companies must ensure proper risk assessment, exposure controls, and worker protection measures. Compliance with occupational health regulations and environmental protection standards is mandatory for any commercial use or distribution.

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

1-methyl-3,5-dinitrobenzene is available through OYSI, a specialized European distributor of technical chemicals. As a highly regulated substance, procurement requires verification of legitimate use, appropriate safety infrastructure, and regulatory compliance. OYSI provides technical support and ensures proper documentation for legal acquisition. Due to the substance's hazardous classification, purchases are restricted to qualified industrial users with demonstrated capability to handle carcinogenic materials safely and in compliance with European regulations.

Data Sources

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