2-methyl-1,3-dinitrobenzene

C7H6N2O4

CAS606-20-2
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
Danger

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Identification

CAS Number
606-20-2
EC Number
210-106-0
UN Number
3454
Index Number
609-049-00-8
PubChem CID
11813

Physical-chemical properties

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

Chemical Identifiers

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

Overview

2-methyl-1,3-dinitrobenzene (CAS 606-20-2) is an aromatic nitro compound with significant toxicological properties and industrial applications. This chemical substance, with molecular formula C7H6N2O4 and molecular weight 182.13 g/mol, belongs to the family of dinitrotoluenes - organic compounds characterized by a benzene ring substituted with both methyl and nitro groups. The compound presents a distinctive substitution pattern with the methyl group at position 2 and nitro groups at positions 1 and 3 on the benzene ring, distinguishing it from related isomers such as 1-methyl-2,4-dinitrobenzene. The substance exhibits severe hazard classifications under the CLP Regulation, including carcinogenicity (Category 1B), mutagenicity (Category 2), and reproductive toxicity (Category 2). These properties are reflected in its GHS08 and GHS06 pictograms and "Danger" signal word. The compound also demonstrates acute toxicity through multiple exposure routes and poses risks for specific target organ toxicity following repeated exposure. Transportation regulations classify it under ADR Class 6.1, indicating its toxic nature. In industrial applications, 2-methyl-1,3-dinitrobenzene serves primarily as an intermediate in organic synthesis, particularly in the production of specialized dyes and pigments. It also functions as a precursor in the manufacture of certain pharmaceutical intermediates and fine chemicals. The compound's nitro groups make it valuable for reduction reactions leading to corresponding amines, which are essential building blocks in various chemical processes. OYSI maintains availability of 2-methyl-1,3-dinitrobenzene for qualified industrial customers requiring this specialized chemical intermediate, ensuring compliance with all applicable safety and regulatory requirements throughout the European market.

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 Name2,6-Dinitrotoluen, fest
Marine PollutantNo

Frequently Asked Questions

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

2-methyl-1,3-dinitrobenzene is an aromatic nitro compound with the molecular formula C7H6N2O4 and CAS number 606-20-2. This chemical consists of a benzene ring substituted with a methyl group and two nitro groups in positions 1 and 3. With a molecular weight of 182.13 g/mol, it belongs to the class of dinitrotoluene isomers and is classified as a highly hazardous substance with carcinogenic, mutagenic, and reproductive toxicity properties.

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

2-methyl-1,3-dinitrobenzene is typically a crystalline solid at room temperature with a characteristic aromatic odor. As a nitroaromatic compound, it exhibits limited water solubility but dissolves well in organic solvents such as alcohols and ketones. The presence of two electron-withdrawing nitro groups significantly affects its chemical reactivity and stability. Its melting point and other specific physical properties depend on purity and crystalline form.

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

2-methyl-1,3-dinitrobenzene is primarily used as an intermediate in organic synthesis and chemical manufacturing processes. It serves as a precursor for the production of various dyes, pigments, and pharmaceutical compounds. In industrial applications, it may be utilized in the synthesis of specialized chemicals and as a building block for more complex aromatic compounds. Its use is typically restricted to professional industrial settings due to its hazardous classification.

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

2-methyl-1,3-dinitrobenzene requires strict safety measures due to its carcinogenic and toxic properties. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection. Work must be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Skin contact must be avoided at all costs, and contaminated clothing should be removed immediately. Only trained personnel should handle this substance following established safety protocols.

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

2-methyl-1,3-dinitrobenzene must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Storage containers should be tightly sealed and made of compatible materials to prevent contamination. The storage area should be secured and accessible only to authorized personnel due to the substance's hazardous nature. Regular inspection of containers for signs of deterioration or leakage is essential for safe storage management.

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

Immediate action is crucial in case of contact with 2-methyl-1,3-dinitrobenzene. For skin contact, remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, rinse immediately with clean water for 15 minutes. If inhaled, move the person to fresh air immediately. Seek medical attention promptly in all cases of exposure, informing medical personnel about the specific chemical involved.

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

2-methyl-1,3-dinitrobenzene must be disposed of as hazardous waste according to local and national environmental regulations. Disposal should only be carried out by licensed waste management companies specialized in handling toxic chemicals. The substance cannot be disposed of in regular waste streams or sewage systems due to its environmental and health hazards. Proper documentation and waste tracking procedures must be followed throughout the disposal process.

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

2-methyl-1,3-dinitrobenzene is classified under ADR Class 6.1 (Toxic substances) Packing Group II, indicating significant transport hazards. Transportation requires proper packaging, labeling with GHS06 and GHS08 pictograms, and compliance with dangerous goods regulations. Vehicles must carry appropriate safety equipment and documentation. Only certified carriers experienced in handling toxic chemicals should transport this substance, following all applicable national and international transport regulations for dangerous goods.

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

2-methyl-1,3-dinitrobenzene is subject to extensive regulatory oversight under REACH and CLP regulations in Europe. Its classification as Carcinogenic 1B, Mutagenic 2, and Reproductive toxicant 2 triggers strict handling and use restrictions. Companies must comply with registration requirements, safety data sheet provisions, and workplace exposure limits. Special authorization may be required for certain uses, and regular monitoring of occupational exposure is mandatory in industrial settings.

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

2-methyl-1,3-dinitrobenzene is available through specialized chemical distributors like OYSI, which serves the European market with technical chemicals. Due to its hazardous classification, purchase is typically restricted to qualified industrial users with proper handling facilities and safety protocols. Buyers must provide appropriate documentation and comply with regulatory requirements. OYSI can provide technical support and safety documentation to ensure compliant procurement and use of this controlled substance.

Data Sources

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