1,1,1,3,3,3-hexachloropropan-2-one
C3Cl6O
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Identification
- CAS Number
- 116-16-5
- EC Number
- 204-129-5
- UN Number
- 2661
- Index Number
- 606-032-00-7
- PubChem CID
- 8303
Physical-chemical properties
- Molecular Formula
- C3Cl6O
- Molar Mass
- 264.70 g/mol
- IUPAC Name
- 1,1,1,3,3,3-hexachloropropan-2-one
Chemical Identifiers
- InChI
- InChI=1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9
- InChI Key
- DOJXGHGHTWFZHK-UHFFFAOYSA-N
Overview
1,1,1,3,3,3-Hexachloropropan-2-one (CAS 116-16-5) is a highly chlorinated ketone compound with strong electron-withdrawing properties and industrial solvent characteristics. This organochlorine compound, also known by its EC number 204-129-5, represents a specialized chemical intermediate with significant industrial relevance. With its molecular formula C3Cl6O and molecular weight of 264.7 g/mol, hexachloropropan-2-one features a unique structure where six chlorine atoms are symmetrically distributed on the terminal carbon atoms of a propanone backbone. This extensive chlorination imparts distinctive chemical properties, including enhanced stability and specific reactivity patterns that differentiate it from less substituted chlorinated compounds. The compound's safety profile requires careful handling protocols, as indicated by its classification under Acute Toxicity Category 4 and Aquatic Chronic Toxicity Category 2. The GHS07 and GHS09 pictograms, along with the "Warning" signal word, emphasize the need for appropriate personal protective equipment and environmental precautions during handling and storage. Its ADR Class 6.1 classification reflects its toxic nature during transportation, necessitating compliance with specific shipping regulations. Industrial applications of hexachloropropan-2-one primarily focus on its role as a chemical intermediate in organic synthesis and as a specialized solvent for specific processes requiring highly chlorinated compounds. Unlike related compounds such as 2-cyclohexylidene-2-phenylacetonitrile, which serves different synthetic pathways, hexachloropropan-2-one's unique substitution pattern makes it particularly valuable in producing other chlorinated derivatives and in applications where conventional solvents prove inadequate. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for qualified industrial customers across European markets.
Safety & Classification
Acute Tox. 4 *; Aquatic Chronic 2
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
Ingestion
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 Number | 2661 |
| ADR Class | 6.1 |
| Packing Group | III |
| Tunnel Code | E |
| Proper Shipping Name | Hexachloraceton |
| Marine Pollutant | No |
Frequently Asked Questions
What is 1,1,1,3,3,3-hexachloropropan-2-one?
1,1,1,3,3,3-hexachloropropan-2-one is a halogenated organic compound with the molecular formula C3Cl6O and CAS number 116-16-5. This chemical compound has a molecular weight of 264.7 g/mol and belongs to the ketone family, featuring six chlorine atoms attached to a three-carbon chain with a central carbonyl group. It is classified as moderately toxic (Acute Tox. 4) and poses chronic aquatic toxicity concerns (Aquatic Chronic 2).
What are the physicochemical properties of 1,1,1,3,3,3-hexachloropropan-2-one?
1,1,1,3,3,3-hexachloropropan-2-one is a dense liquid at room temperature due to its high chlorine content. The compound typically appears as a colorless to pale yellow liquid with a characteristic pungent odor. Its high molecular weight of 264.7 g/mol and extensive halogenation result in low volatility and limited water solubility, while it shows good solubility in organic solvents such as alcohols and chlorinated compounds.
What is 1,1,1,3,3,3-hexachloropropan-2-one used for?
1,1,1,3,3,3-hexachloropropan-2-one is primarily used as an intermediate in organic synthesis and chemical manufacturing processes. The compound serves as a reagent in the production of specialized chemicals and pharmaceuticals, particularly where halogenated ketone functionality is required. Its unique structure makes it valuable for research applications in organic chemistry and as a building block for more complex molecular structures in industrial chemical synthesis.
How to handle 1,1,1,3,3,3-hexachloropropan-2-one safely?
1,1,1,3,3,3-hexachloropropan-2-one requires careful handling due to its Acute Tox. 4 classification. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and ensure emergency eyewash stations and safety showers are readily accessible. Always follow established laboratory safety protocols when handling this substance.
How to store 1,1,1,3,3,3-hexachloropropan-2-one properly?
1,1,1,3,3,3-hexachloropropan-2-one should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from heat sources and ignition points. Keep containers in secondary containment to prevent spills and avoid storage near incompatible materials such as strong bases, reducing agents, and metals. The storage area should be equipped with appropriate spill control measures and maintained at stable temperatures to prevent degradation of the chemical.
What to do in case of contact with 1,1,1,3,3,3-hexachloropropan-2-one?
In case of skin contact with 1,1,1,3,3,3-hexachloropropan-2-one, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush eyes immediately with clean water for at least 15 minutes while keeping eyelids open. If inhaled, move the person to fresh air immediately. Seek medical attention promptly for any exposure, especially if symptoms develop. Do not induce vomiting if ingested.
How to dispose of 1,1,1,3,3,3-hexachloropropan-2-one appropriately?
1,1,1,3,3,3-hexachloropropan-2-one must be disposed of as hazardous waste through licensed waste management companies in accordance with local and European regulations. The substance cannot be disposed of in regular waste streams due to its toxicity and environmental impact classification (Aquatic Chronic 2). Containers should be properly labeled and segregated from other waste types. Contact certified hazardous waste disposal services for collection and treatment according to applicable environmental legislation.
How to transport 1,1,1,3,3,3-hexachloropropan-2-one?
1,1,1,3,3,3-hexachloropropan-2-one is classified under ADR as Class 6.1 (toxic substances), Packing Group III, indicating moderate toxicity during transport. The substance requires appropriate UN-specification packaging and proper hazard labeling including toxic substance markings. Transport documentation must include the correct shipping name, UN number, and hazard class. Only trained personnel should handle the substance during transport, and emergency response information must be readily available throughout the shipping process.
Is 1,1,1,3,3,3-hexachloropropan-2-one subject to specific regulations?
1,1,1,3,3,3-hexachloropropan-2-one is subject to European REACH regulation requiring registration for import and use above specified tonnages. The substance must be classified and labeled according to CLP regulation, displaying GHS07 and GHS09 pictograms with 'Warning' signal word. While not currently listed as a Substance of Very High Concern (SVHC), its Aquatic Chronic 2 classification may trigger additional environmental monitoring requirements and usage restrictions in certain applications.
Where to buy 1,1,1,3,3,3-hexachloropropan-2-one in Europe?
1,1,1,3,3,3-hexachloropropan-2-one is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to qualified industrial and research customers across Europe, ensuring proper regulatory compliance and safe handling guidelines. As a professional chemical distributor, OYSI maintains appropriate documentation, safety data sheets, and technical support for customers requiring this specialized halogenated ketone for their applications. Contact OYSI directly for availability and technical specifications.
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1,1,1,3,3,3-hexachloropropan-2-one is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.