Tert-butyl hypochlorite
C4H9ClO
tert-butyl hypochlorite
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Identification
- CAS Number
- 507-40-4
- EC Number
- 208-072-7
- UN Number
- 3255
- PubChem CID
- 521297
Physical-chemical properties
- Molecular Formula
- C4H9ClO
- Molar Mass
- 108.57 g/mol
- IUPAC Name
- tert-butyl hypochlorite
Chemical Identifiers
- InChI
- InChI=1S/C4H9ClO/c1-4(2,3)6-5/h1-3H3
- InChI Key
- IXZDIALLLMRYOU-UHFFFAOYSA-N
Overview
tert-Butyl hypochlorite (CAS 507-40-4) is an organic hypochlorite compound with strong oxidizing properties and high reactivity toward organic substrates. This specialized chemical compound serves as a versatile reagent in organic synthesis and industrial applications where controlled chlorination and oxidation reactions are required. With the molecular formula C4H9ClO and a molecular weight of 108.57 g/mol, tert-butyl hypochlorite exhibits unique reactivity patterns that make it valuable for selective chemical transformations. The compound belongs to the alkyl hypochlorite family, which includes various chlorinating agents used in synthetic chemistry. The substance is characterized by its significant instability and tendency to decompose, particularly under heat or light exposure, which necessitates careful handling and storage protocols. Its classification under ADR Class 4.2 indicates its spontaneous combustion potential, requiring specialized transportation and storage conditions. Unlike more stable organometallic compounds such as tris(2-methylpropyl)alumane, tert-butyl hypochlorite demands immediate use or refrigerated storage to maintain its chemical integrity. Primary industrial applications include its use as a chlorinating agent in pharmaceutical intermediate synthesis, where it enables selective introduction of chlorine atoms into organic molecules. The compound also finds application in polymer chemistry for controlled oxidation processes and in specialty chemical manufacturing where mild oxidizing conditions are required. Additionally, it serves as a reagent in laboratory-scale organic synthesis for academic and industrial research purposes. OYSI maintains availability of tert-butyl hypochlorite for qualified industrial customers, ensuring proper handling protocols and regulatory compliance throughout the European distribution network.
Safety & Classification
No Hazard Classification
This substance is not classified as hazardous according to CLP Regulation (EC) No 1272/2008.
Transport (ADR)
| UN Number | 3255 |
| ADR Class | 4.2 |
| Packing Group | |
| Tunnel Code | |
| Proper Shipping Name | tert-Butylhypochlorit |
| Marine Pollutant | No |
Frequently Asked Questions
What is tert-butyl hypochlorite?
Tert-butyl hypochlorite is an organochlorine compound with the molecular formula C4H9ClO and CAS number 507-40-4. This chemical compound has a molecular weight of 108.57 g/mol and belongs to the family of alkyl hypochlorites. It is primarily used as a chlorinating agent and oxidizing reagent in organic synthesis. The compound features a tert-butyl group attached to a hypochlorite functional group, making it a valuable intermediate in various chemical reactions and industrial processes.
What are the physicochemical properties of tert-butyl hypochlorite?
Tert-butyl hypochlorite is typically a colorless to pale yellow liquid at room temperature with a characteristic chlorine-like odor. The compound is relatively unstable and can decompose under certain conditions, releasing chlorine gas. It has limited solubility in water but dissolves readily in organic solvents such as alcohols and ethers. The substance is sensitive to heat and light, which can accelerate its decomposition. Its boiling point is relatively low, making it volatile under standard conditions.
What is tert-butyl hypochlorite used for?
Tert-butyl hypochlorite is primarily used as a chlorinating agent in organic synthesis and pharmaceutical manufacturing. It serves as an effective oxidizing reagent for converting alcohols to aldehydes and ketones. The compound is also employed in the synthesis of various organic intermediates and fine chemicals. In industrial applications, it can be used for selective chlorination reactions and as a source of positive chlorine in chemical processes. Its reactivity makes it valuable in laboratory research for organic transformations.
How to handle tert-butyl hypochlorite safely?
Tert-butyl hypochlorite should be handled with appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and lab coats. Work should be conducted in well-ventilated areas or under a fume hood to prevent inhalation of vapors. Avoid contact with skin, eyes, and clothing. Keep away from heat sources, open flames, and incompatible materials. Use only non-sparking tools and equipment. Ensure proper grounding when transferring the substance to prevent static electricity buildup, which could trigger decomposition.
How to store tert-butyl hypochlorite correctly?
Tert-butyl hypochlorite should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly sealed and store in original packaging when possible. The substance should be kept separate from reducing agents, metals, and organic materials that could cause unwanted reactions. Storage temperatures should be maintained below room temperature to minimize decomposition. Regular inspection of containers is recommended to check for signs of deterioration or leakage.
What to do in case of contact with tert-butyl hypochlorite?
In case of skin contact with tert-butyl hypochlorite, immediately remove contaminated clothing and rinse the affected area with plenty of water for at least 15 minutes. For eye contact, flush eyes thoroughly with clean water for at least 15 minutes and seek immediate medical attention. If inhaled, move the person to fresh air and monitor breathing. If ingested, do not induce vomiting and seek immediate medical care. In all cases of significant exposure, contact emergency services and provide them with the safety data sheet.
How to dispose of tert-butyl hypochlorite properly?
Tert-butyl hypochlorite waste must be disposed of in accordance with local, national, and international waste regulations. The substance should not be released into drains, soil, or waterways. Contact licensed waste disposal companies that specialize in hazardous chemical waste. Small quantities may be neutralized under controlled conditions by qualified personnel before disposal. Always consult the safety data sheet and local environmental authorities for specific disposal requirements. Proper documentation of waste disposal is typically required for regulatory compliance.
How to transport tert-butyl hypochlorite?
Tert-butyl hypochlorite is classified under ADR class 4.2, indicating it requires special handling during transportation as a substance liable to spontaneous combustion. Transportation must comply with dangerous goods regulations including proper packaging, labeling, and documentation. Only authorized carriers trained in hazardous materials transport should handle shipments. Vehicles must be equipped with appropriate safety equipment and emergency response materials. Temperature control during transport may be necessary to prevent decomposition and ensure safe delivery.
Is tert-butyl hypochlorite subject to specific regulations?
Tert-butyl hypochlorite is subject to various chemical regulations including REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) in the European Union. The substance is not currently listed as a Substance of Very High Concern (SVHC). Manufacturers and importers must comply with classification, labeling, and packaging requirements under CLP regulation. Users should maintain safety data sheets and ensure proper risk assessments are conducted. Additional sector-specific regulations may apply depending on the intended use and application of the substance.
Where to buy tert-butyl hypochlorite in Europe?
Tert-butyl hypochlorite is available through OYSI, a European distributor specializing in chemical products for industrial and professional applications. OYSI provides reliable supply chains across Europe with proper documentation and regulatory compliance. When purchasing, ensure the supplier provides comprehensive safety data sheets and certificates of analysis. Due to the specialized nature of this chemical, it may require specific handling and shipping arrangements. Contact OYSI directly for availability, technical specifications, and delivery options in your region.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.