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 halogenated ketone compound with six chlorine atoms and significant industrial solvent properties. This highly chlorinated organic compound, also known by its IUPAC name 1,1,1,3,3,3-hexachloropropan-2-one, represents a specialized chemical intermediate with unique properties derived from its symmetric structure. With a molecular formula of C3Cl6O and molecular weight of 264.7 g/mol, this substance exhibits the characteristic properties of both ketones and heavily halogenated compounds, making it valuable for specific industrial applications requiring strong solvating power and chemical stability. The compound's safety profile requires careful handling, as indicated by its GHS07 and GHS09 pictograms, reflecting both health hazards and environmental concerns. Classified as Acute Tox. 4 and Aquatic Chronic 2, it demands appropriate safety measures during storage, handling, and disposal. The Warning signal word indicates moderate hazard levels that can be managed with proper industrial hygiene practices and personal protective equipment. In industrial applications, 1,1,1,3,3,3-hexachloropropan-2-one serves primarily as a specialized solvent for challenging extraction processes and as a chemical intermediate in organic synthesis. Its unique structure makes it particularly effective for applications requiring high chemical resistance and selective solvation properties. The compound finds use in pharmaceutical intermediate synthesis and specialized cleaning applications where conventional solvents prove inadequate. Unlike related compounds such as 2-cyclohexylidene-2-phenylacetonitrile, this hexachlorinated ketone offers superior thermal stability and chemical inertness. OYSI maintains reliable supply chains for 1,1,1,3,3,3-hexachloropropan-2-one, ensuring consistent availability for European industrial customers requiring this specialized chemical intermediate.
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 chlorinated organic compound with the molecular formula C3Cl6O and CAS number 116-16-5. This ketone derivative contains six chlorine atoms attached to a three-carbon chain with a central carbonyl group. With a molecular weight of 264.7 g/mol, it belongs to the family of polychlorinated organic compounds and is classified as moderately toxic with environmental hazard properties.
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 typically a colorless to pale yellow liquid at room temperature with a characteristic pungent odor. Due to its highly chlorinated structure, it exhibits low water solubility but good solubility in organic solvents. The compound has a high density owing to the six chlorine atoms and demonstrates stability under normal conditions, though it may decompose under extreme heat or acidic conditions.
What is 1,1,1,3,3,3-hexachloropropan-2-one used for?
1,1,1,3,3,3-hexachloropropan-2-one serves primarily as a chemical intermediate in organic synthesis and pharmaceutical manufacturing. It is used in the production of specialized compounds requiring chlorinated ketone functionality. The substance also finds application in research laboratories for analytical purposes and as a reagent in various chemical transformations. Its unique structure makes it valuable for developing flame retardants and other chlorinated derivatives.
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 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 prevent inhalation exposure. Given its Acute Tox. 4 classification, avoid skin and eye contact, and prevent ingestion. Use non-sparking tools and ensure proper grounding to prevent static electricity buildup during handling operations.
How to store 1,1,1,3,3,3-hexachloropropan-2-one correctly?
1,1,1,3,3,3-hexachloropropan-2-one should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers in secondary containment to prevent spills and maintain storage temperature below 25°C when possible. Store separately from strong bases, reducing agents, and incompatible materials. Ensure storage areas have appropriate fire suppression systems and spill containment measures due to its toxic properties.
What to do in case of contact with 1,1,1,3,3,3-hexachloropropan-2-one?
Immediate removal from exposure is essential when contact with 1,1,1,3,3,3-hexachloropropan-2-one occurs. For skin contact, wash thoroughly with soap and water for at least 15 minutes and remove contaminated clothing. In case of eye contact, flush with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek medical attention promptly in all exposure cases.
How to dispose of 1,1,1,3,3,3-hexachloropropan-2-one properly?
1,1,1,3,3,3-hexachloropropan-2-one must be disposed of as hazardous waste through licensed waste management contractors in accordance with local and EU regulations. The substance cannot be discharged to sewers or waterways due to its Aquatic Chronic 2 classification. Incineration at high temperatures in authorized facilities is typically the preferred disposal method. Always consult safety data sheets and local authorities for specific disposal requirements and approved waste codes.
How to transport 1,1,1,3,3,3-hexachloropropan-2-one?
1,1,1,3,3,3-hexachloropropan-2-one is classified as ADR Class 6.1 (toxic substances), Packing Group III for transportation purposes. It requires appropriate UN-specification packaging with proper labeling including GHS07 and GHS09 pictograms and 'Warning' signal word. Transport documents must include the correct shipping name, UN number, and hazard class. Drivers must hold ADR certification for Class 6.1 substances, and vehicles require appropriate placarding and emergency equipment.
Is 1,1,1,3,3,3-hexachloropropan-2-one subject to specific regulations?
1,1,1,3,3,3-hexachloropropan-2-one is regulated under EU REACH and CLP regulations, requiring registration for commercial use and proper classification labeling. While not currently listed as a Substance of Very High Concern (SVHC), it must comply with standard chemical safety requirements. The substance may be subject to additional national restrictions in some EU countries. Users must maintain safety data sheets, conduct risk assessments, and implement appropriate risk management measures according to regulatory requirements.
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 serving industrial and research customers across Europe. OYSI provides this compound with full regulatory compliance, proper documentation, and technical support. As a professional chemical distributor, OYSI ensures quality standards, appropriate packaging, and adherence to transportation regulations for safe delivery to qualified industrial users and research institutions throughout the European market.
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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.