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 reactive chloroformate functionality and flammable liquid properties. This chemical intermediate belongs to the chloroformate family and serves as an important building block in organic synthesis and industrial manufacturing processes. With its molecular formula C4H7ClO2 and molecular weight of 122.55 g/mol, propyl carbonochloridate exhibits significant reactivity due to its electrophilic carbonyl carbon and labile chlorine atom. The compound is classified under multiple hazard categories including flammable liquid category 2, acute toxicity category 3, and skin corrosion category 1B, requiring careful handling procedures and appropriate safety measures. The substance presents as a colorless to pale yellow liquid with a pungent, irritating odor characteristic of chloroformates. Its chemical structure makes it highly reactive toward nucleophiles, particularly water, alcohols, and amines, leading to hydrolysis and aminolysis reactions. This reactivity profile is somewhat similar to other electrophilic compounds like 2-(chloromethyl)oxirane, though the reaction mechanisms differ significantly. The compound's flammable nature and corrosive properties demand storage in cool, dry conditions away from moisture and incompatible materials. Industrial applications include its use as an intermediate in pharmaceutical synthesis, particularly in the preparation of carbamate derivatives and protecting group chemistry. The compound also finds application in polymer chemistry for the modification of polymer surfaces and in the production of specialty chemicals where selective acylation is required. Additionally, it serves in the synthesis of agrochemicals and fine chemicals where controlled carbonylation reactions are necessary. OYSI provides propyl carbonochloridate to European industrial customers with comprehensive technical support and regulatory documentation.
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 the presence of both carbonyl and chlorine functional groups. With a molecular weight of 122.55 g/mol, it is classified as a highly 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 is moisture-sensitive and readily hydrolyzes in the presence of water, releasing hydrogen chloride gas. It has limited solubility in water due to its hydrolytic instability but is generally soluble in organic solvents such as alcohols and ethers.
What is propyl carbonochloridate used for?
Propyl carbonochloridate is primarily used as a chemical intermediate in organic synthesis and pharmaceutical manufacturing. It serves as an acylating agent for the introduction of propoxycarbonyl protecting groups in peptide synthesis and other organic reactions. The compound is also utilized in the production of carbamate pesticides, pharmaceutical intermediates, and specialty chemicals where selective carbonylation reactions are required in controlled industrial processes.
How to handle propyl carbonochloridate safely?
Propyl carbonochloridate must be handled with extreme caution using appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Due to its flammable nature (Flam. Liq. 2), keep away from ignition sources, and because of its corrosive properties (Skin Corr. 1B), avoid direct skin contact at all times.
How to store propyl carbonochloridate correctly?
Propyl carbonochloridate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from moisture and incompatible materials. Keep containers away from heat sources and ignition points due to its flammable classification. The substance must be protected from water and humidity as it hydrolyzes readily, and should be stored separately from bases, alcohols, and other nucleophilic compounds that can react violently with chloroformates.
What to do in case of contact with propyl carbonochloridate?
Propyl carbonochloridate contact requires immediate emergency response due to its corrosive and toxic nature. For skin contact, immediately flush with copious amounts of water for at least 15 minutes and remove contaminated clothing. In case of eye contact, rinse thoroughly with water and seek immediate medical attention. If inhaled, move to fresh air immediately and seek medical care. Never induce vomiting if swallowed; rinse mouth and seek immediate medical assistance.
How to dispose of propyl carbonochloridate appropriately?
Propyl carbonochloridate disposal must comply with local and national hazardous waste regulations as it is classified as dangerous waste. The substance should never be poured down drains or disposed of in regular waste streams. Proper disposal typically involves controlled incineration at licensed hazardous waste facilities or chemical neutralization by qualified waste management companies. Always consult local environmental authorities for specific disposal requirements and approved waste handling procedures.
How to transport propyl carbonochloridate?
Propyl carbonochloridate is classified under ADR as Class 6.1 (toxic substances), Packing Group I, indicating high toxicity requiring strict transport protocols. Packages must bear appropriate hazard labels including GHS02, GHS06, and GHS05 pictograms with 'Danger' signal word. Transportation requires proper documentation, certified containers, and compliance with dangerous goods regulations. Only authorized carriers with appropriate training and equipment should handle the transport of this substance.
Is propyl carbonochloridate subject to specific regulations?
Propyl carbonochloridate is subject to comprehensive chemical regulations including REACH registration requirements in Europe and CLP classification standards. The substance carries multiple hazard classifications (Flam. Liq. 2, Acute Tox. 3, Skin Corr. 1B) requiring strict labeling and safety data sheet provisions. While not currently listed as a SVHC substance, it remains under regulatory oversight due to its hazardous properties and requires compliance with occupational exposure limits and industrial emission controls.
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. As a professional chemical supplier, OYSI ensures proper handling, documentation, and regulatory compliance for this hazardous substance. Due to the strict regulatory requirements and safety considerations associated with this compound, purchases are typically limited to qualified industrial users with appropriate handling facilities and safety protocols in place.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.