Propyl carbonochloridate
C4H7ClO2
propyl carbonochloridate
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Identification
- CAS Number
- 109-61-5
- EC Number
- 203-687-7
- UN Number
- 2740
- Index Number
- 607-142-00-8
- PubChem CID
- 7998
Physical-chemical properties
- Molecular Formula
- C4H7ClO2
- Molar Mass
- 122.55 g/mol
- IUPAC Name
- propyl carbonochloridate
Chemical Identifiers
- InChI
- InChI=1S/C4H7ClO2/c1-2-3-7-4(5)6/h2-3H2,1H3
- InChI Key
- QQKDTTWZXHEGAQ-UHFFFAOYSA-N
Overview
Propyl carbonochloridate (CAS 109-61-5) is an organochlorine compound with highly reactive carbonyl chloride functionality and significant industrial utility as a chemical intermediate. This colorless to pale yellow liquid represents a key member of the chloroformate family, characterized by its molecular formula C4H7ClO2 and molecular weight of 122.55 g/mol. The compound features a propyl ester group attached to a carbonyl chloride moiety, making it highly susceptible to hydrolysis and nucleophilic attack. Its chemical structure enables rapid reactions with alcohols, amines, and other nucleophiles, positioning it as a valuable synthetic building block in organic chemistry. The safety profile of propyl carbonochloridate demands careful handling protocols due to its classification under multiple hazard categories. As a Flam. Liq. 2 substance, it presents significant fire risks, while its Acute Tox. 3 rating and Skin Corr. 1B classification indicate serious toxicological concerns. The compound requires storage under inert atmosphere conditions to prevent moisture contact, which leads to rapid decomposition and liberation of hydrogen chloride gas. Transportation falls under ADR Class 6.1, reflecting its toxic properties and necessitating specialized logistics considerations. Industrial applications primarily center on pharmaceutical synthesis, where propyl carbonochloridate serves as a protecting group reagent and coupling agent in peptide chemistry. The agrochemical sector utilizes this compound for manufacturing crop protection agents, while the polymer industry employs it in producing specialized polyurethane precursors. Unlike simpler reactive compounds such as 2-(chloromethyl)oxirane, propyl carbonochloridate offers enhanced selectivity in carbonylation reactions due to its specific ester functionality. OYSI maintains strategic inventory of propyl carbonochloridate to support European chemical manufacturers requiring reliable access to this critical synthetic intermediate.
Safety & Classification
Flam. Liq. 2; Acute Tox. 3 *; Skin Corr. 1B
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
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
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
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:
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 Number | 2740 |
| ADR Class | 6.1 |
| Packing Group | I |
| Tunnel Code | C/D |
| Proper Shipping Name | n-Propylchlorformiat |
| Marine Pollutant | No |
Frequently Asked Questions
What is propyl carbonochloridate?
Propyl carbonochloridate is an organic chemical compound with the molecular formula C4H7ClO2 and CAS number 109-61-5. This substance belongs to the family of chloroformate esters, characterized by its reactive nature due to the presence of both carbonyl and chloride functional groups. With a molecular weight of 122.55 g/mol, it is classified as a hazardous chemical requiring careful handling due to its flammable, toxic, and corrosive properties.
What are the physicochemical properties of propyl carbonochloridate?
Propyl carbonochloridate is typically a colorless to pale yellow liquid at room temperature with a pungent, acrid odor characteristic of chloroformate compounds. The substance has a molecular weight of 122.55 g/mol and formula C4H7ClO2. It is moisture-sensitive and reacts readily with water, producing hydrochloric acid and carbon dioxide. The compound is soluble in organic solvents but decomposes in aqueous media, making it incompatible with water-based systems.
What is propyl carbonochloridate used for?
Propyl carbonochloridate is primarily used as an intermediate in organic synthesis and pharmaceutical manufacturing. It serves as a reagent for introducing propoxycarbonyl protecting groups in peptide synthesis and other organic transformations. The compound is also utilized in the production of carbamate derivatives, pharmaceuticals, and specialty chemicals. Its reactive nature makes it valuable for acylation reactions and as a building block in fine chemical synthesis within controlled industrial environments.
How to handle propyl carbonochloridate safely?
Propyl carbonochloridate requires strict safety measures including wearing full chemical-resistant PPE: nitrile gloves, safety goggles, face shield, and chemical-resistant clothing. Work must be conducted in a well-ventilated fume hood due to toxic vapor release. Avoid contact with skin, eyes, and inhalation of vapors. Keep away from heat sources, sparks, and open flames due to its flammable nature. Have emergency eyewash stations and safety showers readily accessible during handling operations.
How to store propyl carbonochloridate correctly?
Propyl carbonochloridate must be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat, sparks, and ignition sources. Keep containers away from moisture and incompatible materials such as water, alcohols, amines, and strong bases. Store in original containers made of compatible materials, preferably glass or suitable plastic. Maintain storage temperature below 25°C and ensure proper labeling according to GHS requirements with appropriate hazard pictograms.
What to do in case of contact with propyl carbonochloridate?
Propyl carbonochloridate exposure requires immediate action due to its corrosive nature. 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 immediately with water for 15-20 minutes while holding eyelids open. If inhaled, move victim to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult a physician after any exposure incident.
How to dispose of propyl carbonochloridate properly?
Propyl carbonochloridate disposal must comply with local and national hazardous waste regulations as it is classified as toxic and corrosive waste. The substance should be collected in appropriate containers and disposed of through licensed hazardous waste disposal companies. Never discharge into sewers, water bodies, or soil. Small quantities may be carefully hydrolyzed under controlled conditions by qualified personnel, but this should only be done following proper safety protocols and environmental regulations.
How to transport propyl carbonochloridate?
Propyl carbonochloridate is classified under ADR Class 6.1 (Toxic substances), Packing Group I, indicating high toxicity requiring strict transport regulations. Packages must be properly labeled with GHS pictograms (GHS02, GHS06, GHS05) and appropriate shipping documentation. Transportation requires specialized vehicles and trained personnel familiar with hazardous materials handling. Containers must be securely fastened, leak-proof, and comply with UN packaging standards for toxic substances during road transport across Europe.
Is propyl carbonochloridate subject to specific regulations?
Propyl carbonochloridate is subject to multiple European regulations including REACH registration requirements, CLP classification as Flam. Liq. 2, Acute Tox. 3, and Skin Corr. 1B. It carries the signal word 'Danger' and requires appropriate GHS labeling. The substance is not currently listed as SVHC under REACH. Companies must maintain safety data sheets, implement risk management measures, and ensure worker protection according to occupational health regulations. Import/export may require additional permits depending on quantities and destinations.
Where to buy propyl carbonochloridate in Europe?
Propyl carbonochloridate is available through OYSI, a specialized European distributor of technical chemicals serving industrial and research customers across Europe. OYSI provides this hazardous chemical with proper documentation, safety data sheets, and regulatory compliance support. As a professional chemical distributor, OYSI ensures appropriate packaging, labeling, and transport arrangements according to ADR regulations. Contact OYSI directly for availability, technical specifications, and regulatory guidance for your specific application requirements.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.