Propan-2-yl 2-chloroacetate

C5H9ClO2

propan-2-yl 2-chloroacetate

CAS105-48-6
GHS02 Gefahrensymbol: Entzündbar – Flamme
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
Danger

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Identification

CAS Number
105-48-6
EC Number
203-301-7
UN Number
2947
Index Number
607-206-00-5
PubChem CID
7759

Physical-chemical properties

Molecular Formula
C5H9ClO2
Molar Mass
136.58 g/mol
IUPAC Name
propan-2-yl 2-chloroacetate

Chemical Identifiers

InChI
InChI=1S/C5H9ClO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3
InChI Key
VODRWDBLLGYRJT-UHFFFAOYSA-N

Overview

Propan-2-yl 2-chloroacetate (CAS 105-48-6) is a chlorinated ester compound with intermediate reactivity and flammable properties used in organic synthesis applications. This versatile chemical intermediate belongs to the family of chloroacetate esters, characterized by the presence of both a reactive chloroacetyl group and an isopropyl ester functionality. With its molecular formula C5H9ClO2 and molecular weight of 136.58 g/mol, propan-2-yl 2-chloroacetate serves as an important building block in various synthetic pathways where controlled reactivity is essential. The compound exhibits significant hazard properties that require careful handling protocols. Classified as a flammable liquid (Category 3) and acute toxin (Category 3), it presents serious health risks including skin and eye irritation, as well as potential effects on specific target organ systems. The presence of GHS pictograms GHS02 and GHS06 emphasizes both fire and acute toxicity hazards, necessitating appropriate personal protective equipment and ventilation systems during handling and storage. In industrial applications, propan-2-yl 2-chloroacetate functions primarily as an alkylating agent and synthetic intermediate in pharmaceutical manufacturing, agrochemical production, and specialty chemical synthesis. Its reactivity profile makes it particularly valuable for introducing acetate functionalities into complex molecular structures. The compound shares synthetic utility with other reactive intermediates like butanenitrile, though it offers distinct advantages in ester-mediated transformations. The chloroacetate structure provides excellent selectivity in nucleophilic substitution reactions, making it indispensable for producing active pharmaceutical ingredients and advanced materials. Transportation under ADR Class 3 regulations ensures safe distribution throughout European markets. OYSI maintains reliable supply chains for propan-2-yl 2-chloroacetate to support diverse industrial applications across Europe.

Safety & Classification

Danger
Classification:

Flam. Liq. 3; Acute Tox. 3 *; STOT SE 3; Skin Irrit. 2; Eye Irrit. 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H226

Flammable liquid and vapour.

H301

Toxic if swallowed.

H335

May cause respiratory irritation.

H315

Causes skin irritation.

H319

Causes serious eye irritation.

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

Irritant

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

Irritant

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

Irritant

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

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 Number2947
ADR Class3
Packing GroupIII
Tunnel CodeD/E
Proper Shipping NameIsopropylchloracetat
Marine PollutantNo

Frequently Asked Questions

What is propan-2-yl 2-chloroacetate?

Propan-2-yl 2-chloroacetate is an organic chemical compound with the molecular formula C5H9ClO2 and CAS number 105-48-6. It belongs to the family of chloroacetate esters, featuring a chloroacetyl group attached to an isopropyl alcohol moiety. With a molecular weight of 136.58 g/mol, this compound is classified as a hazardous substance requiring careful handling due to its flammability and toxicity properties.

What are the physicochemical properties of propan-2-yl 2-chloroacetate?

Propan-2-yl 2-chloroacetate is typically a colorless to pale yellow liquid at room temperature with a characteristic ester odor. As an organic ester compound, it exhibits limited solubility in water but readily dissolves in organic solvents such as alcohols, ethers, and hydrocarbons. The compound's physical properties are influenced by both its ester functionality and the presence of the chlorine atom in its structure.

What is propan-2-yl 2-chloroacetate used for?

Propan-2-yl 2-chloroacetate is primarily used as an intermediate in organic synthesis and pharmaceutical manufacturing. It serves as a building block for the production of various chemical compounds, particularly in the synthesis of active pharmaceutical ingredients and agrochemicals. The compound's reactive chloroacetyl group makes it valuable for alkylation reactions and as a precursor in the preparation of more complex molecular structures in fine chemical production.

How to handle propan-2-yl 2-chloroacetate safely?

Propan-2-yl 2-chloroacetate requires careful handling due to its classification as Acute Tox. 3, Skin Irrit. 2, and Eye Irrit. 2. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation. Keep away from ignition sources as it's classified as Flam. Liq. 3, and avoid direct skin or eye contact to prevent irritation and potential toxic effects.

How to store propan-2-yl 2-chloroacetate correctly?

Propan-2-yl 2-chloroacetate should be stored in a cool, dry, well-ventilated area away from heat sources, sparks, and open flames due to its flammable nature. Keep containers tightly sealed to prevent contamination and evaporation. Store away from incompatible materials such as strong bases, oxidizing agents, and reactive metals. Maintain storage temperatures below 25°C and ensure proper secondary containment to prevent environmental release in case of container failure.

What to do in case of contact with propan-2-yl 2-chloroacetate?

In case of skin contact with propan-2-yl 2-chloroacetate, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes and seek medical attention. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult a physician if symptoms persist or worsen.

How to dispose of propan-2-yl 2-chloroacetate properly?

Propan-2-yl 2-chloroacetate must be disposed of as hazardous waste in accordance with local, national, and EU regulations. Do not discharge into drains, waterways, or soil. Contact licensed waste management companies for proper collection and treatment. The compound should be incinerated at high temperatures in approved facilities equipped with appropriate emission control systems. Always consult current waste classification codes and disposal requirements in your specific jurisdiction before disposal.

How to transport propan-2-yl 2-chloroacetate?

Propan-2-yl 2-chloroacetate is classified under ADR Class 3 (Flammable Liquids), Packing Group III for transportation purposes. It must be packaged in UN-approved containers and properly labeled with appropriate hazard markings and transport documentation. Vehicles must comply with ADR requirements for Class 3 substances, including proper ventilation and fire safety equipment. Drivers require ADR certification, and transport must follow designated routes with appropriate emergency response procedures in place.

Is propan-2-yl 2-chloroacetate subject to specific regulations?

Propan-2-yl 2-chloroacetate is subject to various EU regulations including REACH registration requirements and CLP classification as a hazardous substance. It is not currently listed as a Substance of Very High Concern (SVHC). The compound must comply with occupational safety regulations, environmental protection laws, and transport regulations (ADR). Users must maintain safety data sheets, conduct risk assessments, and implement appropriate risk management measures as required by current legislation.

Where to buy propan-2-yl 2-chloroacetate in Europe?

Propan-2-yl 2-chloroacetate is available through OYSI, a specialized European distributor of technical chemicals and intermediates. OYSI provides this compound to industrial customers, research institutions, and pharmaceutical companies across Europe. As a professional chemical distributor, OYSI ensures proper documentation, regulatory compliance, and technical support for customers requiring this specialized chemical intermediate. Contact OYSI directly for availability, specifications, and delivery options in your region.

Data Sources

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