2,4,5-trimethylaniline;hydrochloride

C9H14ClN

CAS21436-97-5
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
21436-97-5
UN Number
2811
Index Number
612-197-00-6
PubChem CID
5284470

Physical-chemical properties

Molecular Formula
C9H14ClN
Molar Mass
171.67 g/mol
IUPAC Name
2,4,5-trimethylaniline;hydrochloride

Chemical Identifiers

InChI
InChI=1S/C9H13N.ClH/c1-6-4-8(3)9(10)5-7(6)2;/h4-5H,10H2,1-3H3;1H
InChI Key
HPSNPQBFMPYUOD-UHFFFAOYSA-N

Overview

2,4,5-trimethylaniline hydrochloride (CAS 21436-97-5) is an aromatic amine derivative with significant industrial applications and notable safety considerations due to its carcinogenic properties. This chemical compound represents a hydrochloride salt form of 2,4,5-trimethylaniline, featuring three methyl substituents on the benzene ring at positions 2, 4, and 5 relative to the amino group. With a molecular formula of C9H14ClN and molecular weight of 171.67 g/mol, this substance belongs to the broader family of substituted anilines that are widely utilized in chemical synthesis and manufacturing processes. The compound carries significant safety concerns, classified as a Category 1B carcinogen under the Globally Harmonized System (GHS). It exhibits acute toxicity through multiple exposure routes and poses chronic aquatic environmental hazards. The presence of GHS08 (health hazard), GHS06 (skull and crossbones), and GHS09 (environmental) pictograms on its safety labeling reflects these serious risks. Transportation regulations classify it under ADR Class 6.1 as a toxic substance, requiring specialized handling and shipping procedures. Like related aromatic amines such as N-methylaniline and phenylhydrazine, 2,4,5-trimethylaniline hydrochloride serves important roles in organic synthesis, particularly in the production of dyes, pigments, and pharmaceutical intermediates. The compound finds application in specialty chemical manufacturing and as a building block for more complex molecular structures. Its trimethyl substitution pattern provides unique reactivity characteristics that make it valuable for specific synthetic pathways. Industrial users typically employ this material in controlled manufacturing environments where appropriate safety measures can be implemented to minimize exposure risks. OYSI maintains availability of 2,4,5-trimethylaniline hydrochloride for qualified industrial customers requiring this specialized chemical intermediate.

Safety & Classification

Danger
Classification:

Carc. 1B; Acute Tox. 3 *; Acute Tox. 3 *; Acute Tox. 3 *; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H350

May cause cancer.

H331

Toxic if inhaled.

H311

Toxic in contact with skin.

H301

Toxic if swallowed.

H411

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

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 Number2811
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping Name2,4,5-Trimethylanilin-hydrochlorid
Marine PollutantNo

Frequently Asked Questions

What is 2,4,5-trimethylaniline hydrochloride?

2,4,5-trimethylaniline hydrochloride is an aromatic amine compound in its hydrochloride salt form, with the molecular formula C9H14ClN and CAS number 21436-97-5. This chemical substance has a molecular weight of 171.67 g/mol and belongs to the substituted aniline family, featuring three methyl groups attached to the benzene ring at positions 2, 4, and 5, combined with hydrochloric acid to form the stable salt form.

What are the physicochemical properties of 2,4,5-trimethylaniline hydrochloride?

2,4,5-trimethylaniline hydrochloride is typically a crystalline solid at room temperature due to its salt form structure. As an aromatic amine hydrochloride, it generally exhibits good water solubility compared to its free base form, while maintaining limited solubility in non-polar organic solvents. The compound's physical appearance and specific properties like melting point and exact solubility values would depend on the specific grade and purity of the material.

What is 2,4,5-trimethylaniline hydrochloride used for?

2,4,5-trimethylaniline hydrochloride is primarily used as an intermediate in organic synthesis and pharmaceutical manufacturing. Its aromatic amine structure makes it valuable for producing dyes, pigments, and various chemical compounds through substitution reactions. The compound serves as a building block in the synthesis of more complex molecules, particularly in research and development applications where substituted aniline derivatives are required for specific chemical transformations.

How to handle 2,4,5-trimethylaniline hydrochloride safely?

2,4,5-trimethylaniline hydrochloride requires careful handling due to its classification as Carcinogenic 1B and Acute Toxic 3. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and respiratory protection when handling powders. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin and eye contact, and ensure proper hygiene practices including thorough hand washing after handling.

How to store 2,4,5-trimethylaniline hydrochloride correctly?

2,4,5-trimethylaniline hydrochloride should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly closed and properly labeled according to GHS requirements with appropriate danger pictograms (GHS06, GHS08, GHS09). Store separately from oxidizing agents, acids, and bases. Ensure storage areas have appropriate containment measures and access restrictions due to the substance's carcinogenic and toxic properties.

What to do in case of contact with 2,4,5-trimethylaniline hydrochloride?

2,4,5-trimethylaniline hydrochloride exposure requires immediate action due to its acute toxicity. For skin contact, remove contaminated clothing and rinse thoroughly with plenty of water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15-20 minutes. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek medical attention immediately. Always consult emergency services for serious exposures.

How to dispose of 2,4,5-trimethylaniline hydrochloride properly?

2,4,5-trimethylaniline hydrochloride must be disposed of as hazardous waste through licensed waste management companies due to its carcinogenic and toxic properties. The substance cannot be disposed of through regular waste streams or sewage systems. Follow local and national regulations for hazardous chemical disposal, maintaining proper documentation and chain of custody. Consider waste minimization strategies and recovery options where technically feasible before disposal.

How to transport 2,4,5-trimethylaniline hydrochloride?

2,4,5-trimethylaniline hydrochloride is classified as ADR Class 6.1 (Toxic substances) Packing Group II, indicating significant transport hazards. Packages must comply with UN specifications and bear appropriate hazard labels and markings. Transport documents must include proper shipping names and emergency contact information. Only authorized carriers with appropriate training and equipment should handle transportation, following ADR regulations for toxic substances throughout the journey.

Is 2,4,5-trimethylaniline hydrochloride subject to specific regulations?

2,4,5-trimethylaniline hydrochloride is subject to comprehensive chemical regulations including REACH registration requirements and CLP classification obligations in Europe. Its Carcinogenic 1B classification imposes strict workplace exposure limits and handling requirements. The substance may face restrictions under various national and international chemical control frameworks. Companies must ensure compliance with occupational health regulations and maintain appropriate safety data sheets and exposure assessments.

Where to buy 2,4,5-trimethylaniline hydrochloride in Europe?

2,4,5-trimethylaniline hydrochloride is available through OYSI, a specialized European distributor of technical chemicals and intermediates. OYSI provides reliable supply chains for research institutions, pharmaceutical companies, and industrial manufacturers requiring this compound. As a regulated substance with significant hazard classifications, purchase typically requires verification of legitimate end-use and compliance with applicable regulations. Contact OYSI directly for availability, specifications, and regulatory support.

Data Sources

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