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 flammable and toxic properties used in organic synthesis applications. This versatile chemical intermediate belongs to the family of chloroacetate esters, which are widely utilized in pharmaceutical and agrochemical manufacturing processes. With its molecular formula C5H9ClO2 and molecular weight of 136.58 g/mol, propan-2-yl 2-chloroacetate serves as an important building block for synthesizing various organic compounds. The presence of both the chloroacetate group and isopropyl ester functionality makes it particularly valuable for nucleophilic substitution reactions and esterification processes. The compound exhibits significant safety considerations due to its classification under multiple hazard categories. It presents flammable liquid properties (Flam. Liq. 3) and acute toxicity concerns (Acute Tox. 3), requiring careful handling protocols and appropriate safety measures. Additionally, it can cause skin and eye irritation (Skin Irrit. 2, Eye Irrit. 2) and specific target organ toxicity (STOT SE 3). The ADR Class 3 classification necessitates specialized transportation and storage requirements. Primary industrial applications include pharmaceutical intermediate synthesis, agrochemical production, and specialty chemical manufacturing. The compound's reactivity profile makes it suitable for creating complex molecular structures in fine chemical synthesis, particularly where selective functionalization is required. Unlike simpler nitrile compounds such as butanenitrile, this chloroacetate ester offers enhanced reactivity for specific synthetic pathways. OYSI provides propan-2-yl 2-chloroacetate to European industrial customers, ensuring compliance with all relevant safety regulations and quality standards for professional chemical applications.

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. This chloroacetate ester has a molecular weight of 136.58 g/mol and is classified as a hazardous substance with multiple safety concerns including flammability, acute toxicity, and irritant properties. It belongs to the family of chloroacetic acid derivatives commonly used in organic synthesis and chemical manufacturing processes.

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 has limited solubility in water but is readily soluble in most organic solvents such as alcohols, ethers, and hydrocarbons. The compound exhibits flammable properties and can form explosive vapor-air mixtures under certain conditions, requiring careful handling and storage protocols.

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 key building block for producing various chemical compounds, particularly in the synthesis of active pharmaceutical ingredients and specialty chemicals. The compound is also utilized in research laboratories for chemical reactions involving chloroacetate chemistry and esterification processes, making it valuable for both industrial and academic applications.

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

Propan-2-yl 2-chloroacetate must be handled with appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its skin and eye irritant properties. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Given its acute toxicity classification, avoid direct contact with skin, eyes, and mucous membranes, and ensure emergency eyewash and safety shower facilities are readily accessible.

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

Propan-2-yl 2-chloroacetate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources, ignition sources, and direct sunlight. Keep the substance away from strong oxidizing agents, bases, and incompatible materials that could cause dangerous reactions. Storage areas must comply with flammable liquid storage requirements and be equipped with appropriate fire suppression systems to prevent fire hazards associated with this Class 3 flammable liquid.

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 at least 15 minutes and seek medical attention. If inhaled, move the person to fresh air and seek medical help if breathing difficulties occur. In case of ingestion, do not induce vomiting and seek immediate medical attention.

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

Propan-2-yl 2-chloroacetate must be disposed of as hazardous waste through licensed waste management companies in accordance with local, national, and European waste regulations. The substance cannot be disposed of in regular waste streams or poured down drains due to its toxic and flammable properties. Containers should be completely emptied and treated as contaminated waste. Always consult local environmental authorities for specific disposal requirements and approved waste treatment facilities.

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. The substance must be packaged in approved containers and labeled with appropriate hazard markings and UN identification numbers according to international dangerous goods regulations. Transportation vehicles must comply with ADR requirements for flammable liquids, including proper ventilation, fire extinguishing equipment, and driver certification for dangerous goods transport.

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

Propan-2-yl 2-chloroacetate is subject to various European regulations including REACH registration requirements and CLP classification and labeling regulations. The substance is not currently listed as a Substance of Very High Concern (SVHC) under REACH. However, its classification under multiple hazard classes including acute toxicity and flammability means it must comply with strict handling, storage, and transport regulations across EU member states.

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 serving industrial and research customers across Europe. OYSI provides reliable supply chain management and technical support for this and other specialty chemicals. As a regulated hazardous substance, purchases typically require proper documentation and may be subject to end-use verification depending on the intended application and local regulations.

Data Sources

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