2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine

C9H14N2S2

CAS106264-79-3
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
106264-79-3
EC Number
403-240-8
UN Number
3082
Index Number
612-113-00-8
PubChem CID
86262

Physical-chemical properties

Molecular Formula
C9H14N2S2
Molar Mass
214.40 g/mol
IUPAC Name
2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine

Chemical Identifiers

InChI
InChI=1S/C9H14N2S2/c1-5-8(10)6(12-2)4-7(13-3)9(5)11/h4H,10-11H2,1-3H3
InChI Key
TXDBDYPHJXUHEO-UHFFFAOYSA-N

Overview

2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine (CAS 106264-79-3) is an aromatic diamine compound featuring dual methylsulfanyl substituents and specialized chemical reactivity properties. This specialized organic compound belongs to the family of substituted benzene diamines, characterized by its unique molecular structure containing two amino groups, two methylsulfanyl (methylthio) groups, and a methyl substituent on the benzene ring. With a molecular formula of C9H14N2S2 and molecular weight of 214.4 g/mol, this compound exhibits distinctive chemical properties due to the presence of both nitrogen and sulfur functional groups. The compound's safety profile requires careful handling, as it is classified under acute toxicity category 4 and skin sensitization category 1 according to GHS classification. It also presents environmental concerns with acute and chronic aquatic toxicity classifications. The presence of GHS07 and GHS09 pictograms indicates both health hazards and environmental risks, necessitating appropriate safety measures during storage, handling, and transportation under ADR class 9 regulations. In industrial applications, 2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine serves primarily as an intermediate in organic synthesis, particularly in the production of specialized dyes, pharmaceutical intermediates, and polymer additives. Its unique substitution pattern makes it valuable for creating compounds with specific electronic and steric properties. The compound finds use in applications similar to other substituted aromatic amines, though distinct from related compounds like 1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine which has different substitution patterns and applications. As a specialized chemical intermediate, this compound requires expertise in handling and application development. OYSI provides technical-grade 2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine to qualified industrial customers with comprehensive safety documentation and regulatory compliance support.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H317

May cause an allergic skin reaction.

H400

Very toxic to aquatic life.

H410

Very 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

Skin Contact

Irritant

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

Harmful

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 Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name6-Methyl-2,4-bis(methylthio)-phenylen-1,3-diamin
Marine PollutantNo

Frequently Asked Questions

What is 2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine?

2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine is an organic chemical compound with the molecular formula C9H14N2S2 and CAS number 106264-79-3. This aromatic diamine features two methylsulfanyl groups and a methyl substituent on a benzene ring with two amino groups. With a molecular weight of 214.4 g/mol, it belongs to the class of substituted aromatic amines containing sulfur functionalities, making it useful in various chemical synthesis applications.

What are the physicochemical properties of 2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine?

2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine is a solid organic compound at room temperature with a molecular weight of 214.4 g/mol. As an aromatic diamine with methylsulfanyl substituents, it typically exhibits limited water solubility but dissolves well in organic solvents. The presence of amino groups and sulfur functionalities influences its chemical reactivity and binding properties. Specific physical parameters like melting point and density should be confirmed through analytical testing.

What is 2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine used for?

2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine is primarily used as an intermediate in organic synthesis and pharmaceutical research. Its diamine structure makes it valuable for creating complex molecules, polymer synthesis, and as a building block in medicinal chemistry. The compound may also serve in specialty chemical manufacturing where aromatic diamines with sulfur functionalities are required. Its specific applications depend on the unique reactivity provided by the combination of amino and methylsulfanyl groups.

How to handle 2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine safely?

2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine requires careful handling due to its Acute Tox. 4 and Skin Sens. 1 classifications. Always wear appropriate PPE including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation. Prevent skin and eye contact, as the substance can cause sensitization reactions. Follow good laboratory practices and ensure emergency shower and eyewash stations are readily accessible during handling operations.

How to store 2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine properly?

2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers protected from light and moisture to prevent degradation. Store away from strong oxidizers, acids, and heat sources. Ensure storage areas comply with local regulations for hazardous chemicals and maintain proper labeling. Regular inspection of containers for integrity and proper segregation from other chemicals is essential for safe storage.

What to do in case of contact with 2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine?

Immediate action is required upon contact with 2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine. For skin contact, immediately remove contaminated clothing and wash affected areas with soap and water for at least 15 minutes. In case of eye contact, flush thoroughly with water for 15 minutes and remove contact lenses if present. If inhaled, move to fresh air immediately. Seek medical attention promptly, especially given the skin sensitization potential. Always have safety data sheets available for emergency responders.

How to dispose of 2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine appropriately?

2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine must be disposed of as hazardous waste through licensed waste management companies. Due to its aquatic toxicity classification (Aquatic Acute 1, Aquatic Chronic 1), prevent release to sewers, waterways, or soil. Collect waste in appropriate containers, properly labeled with contents and hazard information. Follow local and national regulations for hazardous waste disposal. Incineration at authorized facilities is typically the preferred disposal method for organic compounds with these characteristics.

How to transport 2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine?

2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation. This classification requires appropriate UN specification packaging, proper labeling with Class 9 hazard labels, and accompanying transport documentation. Packages must be secured to prevent damage during transit and drivers require ADR training. Ensure compliance with international transport regulations including IMDG for sea transport and IATA for air transport when applicable.

Is 2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine subject to specific regulations?

2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine is subject to REACH regulation requiring registration for manufacture or import in quantities above one tonne per year in the EU. The substance is not currently listed as SVHC but must comply with CLP regulation for classification and labeling. Users must maintain safety data sheets and implement appropriate risk management measures. National chemical inventories and workplace exposure regulations may also apply depending on jurisdiction and intended use.

Where to buy 2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine in Europe?

2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to research institutions, pharmaceutical companies, and industrial users across Europe with proper documentation and regulatory compliance. As a technical chemical requiring specialized handling, procurement should only be through established suppliers who can provide appropriate safety data sheets, certificates of analysis, and regulatory support for professional applications.

Data Sources

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