Ethyl carbonochloridate

C3H5ClO2

ethyl carbonochloridate

CAS541-41-3
GHS02 Gefahrensymbol: Entzündbar – Flamme
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
Danger

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Identification

CAS Number
541-41-3
EC Number
208-778-5
UN Number
1182
Index Number
607-020-00-4
PubChem CID
10928

Physical-chemical properties

Molecular Formula
C3H5ClO2
Molar Mass
108.52 g/mol
IUPAC Name
ethyl carbonochloridate

Chemical Identifiers

InChI
InChI=1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3
InChI Key
RIFGWPKJUGCATF-UHFFFAOYSA-N

Overview

Ethyl carbonochloridate (CAS 541-41-3) is a chloroformate ester compound with high reactivity and significant toxicity hazards. This organic chemical compound, also known by its IUPAC designation ethyl carbonochloridate, represents an important intermediate in synthetic organic chemistry. With the molecular formula C3H5ClO2 and a molecular weight of 108.52 g/mol, this colorless to pale yellow liquid exhibits the characteristic properties of chloroformate esters, including high reactivity toward nucleophiles and moisture sensitivity. The compound presents significant safety considerations due to its classification under multiple hazard categories. It is classified as a flammable liquid (Category 2) and exhibits acute toxicity (Categories 2 and 4), requiring careful handling protocols. The corrosive nature of ethyl carbonochloridate toward skin (Category 1B) necessitates appropriate personal protective equipment and engineering controls. These hazard characteristics are reflected in its ADR transport classification as Class 6.1 toxic substances and the assignment of GHS pictograms including flame, skull and crossbones, and corrosion symbols. In industrial applications, ethyl carbonochloridate serves primarily as a derivatizing agent in pharmaceutical synthesis and as a protecting group reagent for amino acids and peptides. It also finds use in the production of various carbamate compounds and as an intermediate in agrochemical manufacturing. Unlike related compounds such as 2-(chloromethyl)oxirane, which functions primarily as an alkylating agent, ethyl carbonochloridate specifically introduces ethoxycarbonyl functionality into target molecules. OYSI maintains reliable supply chains for ethyl carbonochloridate to support European chemical manufacturing operations, ensuring consistent availability for qualified industrial customers with appropriate handling capabilities.

Safety & Classification

Danger
Classification:

Flam. Liq. 2; Acute Tox. 2 *; Acute Tox. 4 *; Skin Corr. 1B

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H225

Highly flammable liquid and vapour.

H330

Fatal if inhaled.

H302

Harmful if swallowed.

H314

Causes severe skin burns and eye damage.

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

Fatal

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

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:

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +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 Number1182
ADR Class6.1
Packing GroupI
Tunnel CodeC/D
Proper Shipping NameEthylchlorformiat
Marine PollutantNo

Frequently Asked Questions

What is ethyl carbonochloridate?

Ethyl carbonochloridate is an organic chemical compound with the molecular formula C3H5ClO2 and CAS number 541-41-3. This chloroformate ester has a molecular weight of 108.52 g/mol and belongs to the family of carbonyl chlorides. It is classified as a highly hazardous substance with multiple danger classes including flammable liquid, acute toxicity, and skin corrosion properties, requiring careful handling in industrial applications.

What are the physicochemical properties of ethyl carbonochloridate?

Ethyl carbonochloridate is a colorless to pale yellow liquid with a pungent, irritating odor characteristic of chloroformates. It has a molecular weight of 108.52 g/mol and is highly reactive with water, decomposing to form ethanol, carbon dioxide, and hydrogen chloride. The compound is soluble in organic solvents but reacts violently with water and alcohols, making it moisture-sensitive and requiring anhydrous storage conditions.

What is ethyl carbonochloridate used for?

Ethyl carbonochloridate serves as an important intermediate in organic synthesis, particularly in pharmaceutical and agrochemical manufacturing. It is commonly used as a reagent for introducing ethoxycarbonyl groups into organic molecules, in peptide synthesis as an activating agent, and in the preparation of carbamates and urethanes. The compound also finds application in the production of various esters and as a derivatizing agent in analytical chemistry.

How to handle ethyl carbonochloridate safely?

Ethyl carbonochloridate requires strict safety measures due to its high toxicity and corrosive nature. Always wear full personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection in well-ventilated areas or fume hoods. Avoid contact with skin, eyes, and clothing, and prevent inhalation of vapors. Work with small quantities only, keep away from heat sources and ignition, and have emergency eyewash and shower facilities readily available.

How to store ethyl carbonochloridate correctly?

Ethyl carbonochloridate must be stored in tightly sealed, moisture-proof containers in a cool, dry, well-ventilated area away from heat, sparks, and direct sunlight. Keep containers in secondary containment and separate from incompatible materials such as water, alcohols, amines, and strong bases. Store in original labeled containers under inert atmosphere when possible, and maintain storage temperatures below 25°C to prevent decomposition and pressure buildup.

What to do in case of contact with ethyl carbonochloridate?

Ethyl carbonochloridate exposure requires immediate emergency response due to its highly toxic and corrosive properties. For skin contact, immediately remove contaminated clothing and flush affected area with copious amounts of water for at least 15 minutes. In case of eye contact, rinse continuously with water and seek immediate medical attention. If inhaled, move to fresh air immediately and provide oxygen if breathing is difficult. Seek medical attention promptly for all exposure incidents.

How to dispose of ethyl carbonochloridate properly?

Ethyl carbonochloridate disposal must comply with local and European waste regulations as a hazardous chemical waste. The compound should be treated through controlled incineration at authorized hazardous waste facilities equipped with appropriate emission controls. Never pour down drains or dispose in regular waste streams. Small quantities can be carefully hydrolyzed under controlled conditions by trained personnel, but professional hazardous waste disposal is recommended for most situations.

How to transport ethyl carbonochloridate?

Ethyl carbonochloridate is classified under ADR as Class 6.1 (toxic substances), Packing Group I, indicating its high toxicity level for transport purposes. It requires appropriate UN-specification packaging, proper labeling with toxic and corrosive hazard diamonds, and transport documentation. Only authorized carriers trained in hazardous materials transport should handle shipments, and emergency response information must accompany all shipments according to ADR regulations.

Is ethyl carbonochloridate subject to specific regulations?

Ethyl carbonochloridate is subject to comprehensive European chemical regulations including REACH registration requirements and CLP classification obligations. It carries multiple GHS pictograms (GHS02, GHS06, GHS05) indicating flammable, toxic, and corrosive hazards with 'Danger' signal word. While not currently listed as an SVHC substance, it requires strict compliance with occupational exposure limits, proper safety data sheets, and may be subject to additional national restrictions in various European countries.

Where to buy ethyl carbonochloridate in Europe?

Ethyl carbonochloridate is available through OYSI, a specialized European distributor of technical chemicals serving industrial and research customers across Europe. As a regulated hazardous chemical, it requires proper documentation, safety data sheets, and compliance with transport regulations. OYSI provides technical support and ensures regulatory compliance for ethyl carbonochloridate purchases, offering reliable supply chain management for this critical chemical intermediate to qualified professional users.

Data Sources

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