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 exceptional reactivity in chlorination reactions. This specialized chemical compound serves as a versatile reagent in organic synthesis and industrial processes. With the molecular formula C4H9ClO and a molecular weight of 108.57 g/mol, tert-butyl hypochlorite exhibits unique characteristics that make it valuable for specific applications requiring controlled chlorination or oxidation reactions. The compound belongs to the family of hypochlorites, distinguished by its tertiary butyl group that provides enhanced stability compared to simpler hypochlorite structures. The substance demonstrates significant reactivity due to its hypochlorite functional group, making it an effective chlorinating agent under controlled conditions. Its tertiary butyl structure contributes to its handling characteristics and reaction selectivity. Safety considerations are paramount when working with this compound, as it falls under ADR class 4.2, indicating its classification as a substance liable to spontaneous combustion. Proper storage conditions, including temperature control and protection from incompatible materials, are essential for maintaining product integrity and workplace safety. Industrial applications of tert-butyl hypochlorite include its use as a chlorinating agent in organic synthesis, particularly in pharmaceutical intermediate production and fine chemical manufacturing. It also finds application in specialized oxidation processes where controlled reactivity is required. Unlike related organoaluminum compounds such as tris(2-methylpropyl)alumane or tripropylalumane, which serve different synthetic purposes, tert-butyl hypochlorite offers unique chlorination capabilities. OYSI maintains availability of tert-butyl hypochlorite to support European industrial customers requiring this specialized chemical reagent.
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 substance has a molecular weight of 108.57 g/mol and belongs to the class of hypochlorites, which are characterized by the presence of a chlorine-oxygen bond. It is commonly used as a chlorinating agent and oxidizing reagent in organic synthesis reactions.
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 pungent odor. It has limited solubility in water but dissolves readily in organic solvents such as alcohols and ethers. The compound is relatively volatile and sensitive to heat and light, which can cause decomposition. Its density is approximately 1.0 g/cm³ at standard conditions.
What is tert-butyl hypochlorite used for?
Tert-butyl hypochlorite is primarily used as a chlorinating agent in organic synthesis for introducing chlorine atoms into organic molecules. It serves as an oxidizing reagent in various chemical transformations and is employed in the preparation of other organochlorine compounds. The substance finds applications in pharmaceutical intermediate synthesis, specialty chemical manufacturing, and research laboratories for specific organic reactions.
How to handle tert-butyl hypochlorite safely?
Tert-butyl hypochlorite requires careful handling with appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to avoid inhalation of vapors. Avoid contact with skin, eyes, and clothing. Keep away from heat sources, open flames, and incompatible materials. Use proper grounding procedures when transferring the material.
How to store tert-butyl hypochlorite correctly?
Tert-butyl hypochlorite should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers away from incompatible materials such as strong bases, metals, and organic materials that could react. Store at temperatures below 25°C to prevent decomposition. Ensure storage areas have appropriate fire suppression systems and spill containment measures.
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 wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush eyes with clean water for at least 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Seek medical attention promptly in all cases of exposure and provide the safety data sheet to medical personnel.
How to dispose of tert-butyl hypochlorite appropriately?
Tert-butyl hypochlorite must be disposed of according to local, national, and international waste regulations as a hazardous chemical waste. Contact licensed waste disposal companies specialized in handling chemical waste. Never dispose of this substance down drains, sewers, or with regular waste. Small quantities may require neutralization or controlled decomposition before disposal. Maintain proper documentation of waste disposal procedures and certificates.
How to transport tert-butyl hypochlorite?
Tert-butyl hypochlorite is classified under ADR Class 4.2 for transportation purposes, indicating it is a spontaneously combustible substance. It must be packaged in approved containers according to packing group requirements and properly labeled with appropriate hazard markings. Transportation should comply with ADR regulations for dangerous goods, including proper documentation, vehicle requirements, and driver training for hazardous materials transport.
Is tert-butyl hypochlorite subject to specific regulations?
Tert-butyl hypochlorite is subject to various chemical regulations including REACH registration requirements in the European Union. It must comply with CLP regulation for classification, labeling, and packaging. The substance is not currently listed as a Substance of Very High Concern (SVHC). Users must ensure compliance with local occupational safety regulations and environmental protection laws governing its use, storage, and disposal.
Where to buy tert-butyl hypochlorite in Europe?
Tert-butyl hypochlorite is available through OYSI, a trusted European distributor of specialty chemicals serving industrial and research customers across Europe. OYSI provides reliable supply chains and technical support for chemical procurement needs. Contact OYSI directly to discuss availability, packaging options, and delivery arrangements for tert-butyl hypochlorite and other specialty chemicals required for your applications.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.