2-chloroethyl(trimethyl)azanium chloride

C5H13Cl2N

CAS999-81-5
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
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Identification

CAS Number
999-81-5
EC Number
213-666-4
UN Number
2761
Index Number
007-003-00-6
PubChem CID
13836

Physical-chemical properties

Molecular Formula
C5H13Cl2N
Molar Mass
158.07 g/mol
IUPAC Name
2-chloroethyl(trimethyl)azanium chloride

Chemical Identifiers

InChI
InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1
InChI Key
UHZZMRAGKVHANO-UHFFFAOYSA-M

Overview

2-chloroethyl(trimethyl)azanium chloride (CAS 999-81-5) is a quaternary ammonium salt featuring antimicrobial properties and high water solubility. This quaternary ammonium compound, also identified by EC number 213-666-4, represents an important class of cationic surfactants widely utilized in industrial applications. With a molecular formula of C5H13Cl2N and molecular weight of 158.07 g/mol, this chloride salt demonstrates the characteristic properties of quaternary ammonium compounds, including excellent water solubility and surface-active behavior. The compound is classified under ADR class 6.1 as a toxic substance, carrying Acute Toxicity Category 4 classifications with GHS07 pictogram and "Warning" signal word. These safety classifications require appropriate handling procedures and protective equipment during storage, transport, and processing. The presence of both chloroethyl and trimethylammonium functional groups contributes to its biological activity profile, necessitating careful consideration of exposure limits and containment protocols. Primary industrial applications include antimicrobial formulations, surface disinfection systems, and specialized chemical synthesis processes. The compound's quaternary ammonium structure makes it particularly effective in biocidal applications where cationic activity is desired. Unlike related compounds such as benzonitrile or 2-dimethoxyphosphinothioylsulfanyl-N-ethylacetamide, this chloride salt offers distinct advantages in aqueous systems due to its ionic nature and enhanced solubility characteristics. The substance finds additional use in research applications and as an intermediate in the synthesis of more complex quaternary ammonium derivatives. Its stability under standard storage conditions and compatibility with various formulation components make it suitable for incorporation into multi-component chemical systems. OYSI maintains reliable supply chains for 2-chloroethyl(trimethyl)azanium chloride, ensuring consistent availability for European industrial customers requiring this specialized quaternary ammonium compound.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Acute Tox. 4 *

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H312

Harmful in contact with skin.

H302

Harmful if swallowed.

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

Harmful

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 Number2761
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameChlormequatchlorid (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 2-chloroethyl(trimethyl)azanium chloride?

2-chloroethyl(trimethyl)azanium chloride is a quaternary ammonium salt with the molecular formula C5H13Cl2N and CAS number 999-81-5. This chemical compound has a molecular weight of 158.07 g/mol and belongs to the class of organonitrogen compounds. It is classified as Acute Tox. 4 under the GHS system, indicating moderate acute toxicity hazards that require careful handling and appropriate safety measures.

What are the physicochemical properties of 2-chloroethyl(trimethyl)azanium chloride?

2-chloroethyl(trimethyl)azanium chloride is typically a white to off-white crystalline solid at room temperature. As a quaternary ammonium salt, it exhibits high water solubility due to its ionic nature. The compound contains both chloroethyl and trimethylammonium functional groups, making it polar and hygroscopic. Its molecular structure includes both organic and ionic characteristics, contributing to its solubility in polar solvents.

What is 2-chloroethyl(trimethyl)azanium chloride used for?

2-chloroethyl(trimethyl)azanium chloride is primarily used as a chemical intermediate in organic synthesis and pharmaceutical manufacturing. Its quaternary ammonium structure makes it valuable in the production of specialized compounds. The presence of the reactive chloroethyl group allows for further chemical modifications, making it useful in research and development applications within the chemical and pharmaceutical industries.

How to safely handle 2-chloroethyl(trimethyl)azanium chloride?

2-chloroethyl(trimethyl)azanium chloride requires careful handling due to its Acute Tox. 4 classification. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods. Avoid inhalation, skin contact, and ingestion. Use appropriate tools for handling and ensure proper washing of hands and equipment after use.

How to store 2-chloroethyl(trimethyl)azanium chloride properly?

2-chloroethyl(trimethyl)azanium chloride should be stored in tightly sealed containers in a cool, dry, and well-ventilated area. Keep away from heat sources, direct sunlight, and incompatible materials. The storage area should be secure and accessible only to trained personnel. Maintain proper labeling according to GHS requirements and ensure containers are properly sealed to prevent moisture absorption and contamination.

What to do in case of contact with 2-chloroethyl(trimethyl)azanium chloride?

In case of skin contact with 2-chloroethyl(trimethyl)azanium chloride, immediately wash the affected area with plenty of water for at least 15 minutes. For eye contact, flush thoroughly with water and seek immediate medical attention. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek medical attention immediately. Always consult the safety data sheet for specific first aid measures.

How to properly dispose of 2-chloroethyl(trimethyl)azanium chloride?

2-chloroethyl(trimethyl)azanium chloride must be disposed of as hazardous chemical waste according to local and national regulations. Contact licensed waste disposal companies specialized in chemical waste management. Never dispose of this substance in regular waste streams or pour down drains. Ensure proper documentation of waste disposal and follow all applicable environmental regulations. Small quantities should be neutralized following established laboratory protocols before disposal.

How to transport 2-chloroethyl(trimethyl)azanium chloride?

2-chloroethyl(trimethyl)azanium chloride is classified under ADR Class 6.1 (Toxic substances), Packing Group III. This classification requires specific packaging, labeling, and documentation for transport. Use UN-approved packaging suitable for toxic solids. Ensure proper hazard labels and transport documentation are attached. Only trained personnel should handle transportation, and emergency response information must be readily available during transport.

Is 2-chloroethyl(trimethyl)azanium chloride subject to specific regulations?

2-chloroethyl(trimethyl)azanium chloride is subject to REACH regulation in Europe and must comply with CLP classification requirements. It carries the GHS07 pictogram and "Warning" signal word due to its Acute Tox. 4 classification. The substance is not currently listed as an SVHC (Substance of Very High Concern). Companies must ensure proper registration, notification, and safety data sheet provision according to applicable chemical regulations.

Where to buy 2-chloroethyl(trimethyl)azanium chloride in Europe?

2-chloroethyl(trimethyl)azanium chloride is available through OYSI, a specialized European distributor of chemical products. OYSI provides reliable supply chains for laboratory and industrial customers across Europe. When purchasing, ensure the supplier provides proper documentation including safety data sheets, certificates of analysis, and regulatory compliance information. Contact OYSI directly for availability, specifications, and delivery options for your specific requirements.

Data Sources

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