1,1-dichloro-1-nitroethane
C2H3Cl2NO2
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Identification
- CAS Number
- 594-72-9
- EC Number
- 209-854-0
- UN Number
- 2650
- Index Number
- 610-002-00-9
- PubChem CID
- 11674
Physical-chemical properties
- Molecular Formula
- C2H3Cl2NO2
- Molar Mass
- 143.95 g/mol
- IUPAC Name
- 1,1-dichloro-1-nitroethane
Chemical Identifiers
- InChI
- InChI=1S/C2H3Cl2NO2/c1-2(3,4)5(6)7/h1H3
- InChI Key
- OQOGEOLRYAOSKO-UHFFFAOYSA-N
Overview
1,1-dichloro-1-nitroethane (CAS 594-72-9) is a halogenated nitroalkane compound featuring dual chlorine substitution and nitro functionality on the same carbon atom. This organochlorine compound represents a specialized chemical intermediate characterized by its unique molecular structure containing both electron-withdrawing nitro and chlorine groups. With the molecular formula C2H3Cl2NO2 and a molecular weight of 143.95 g/mol, 1,1-dichloro-1-nitroethane exhibits distinctive reactivity patterns due to the geminal positioning of its functional groups. The compound falls under EC number 209-854-0 and requires careful handling protocols due to its acute toxicity classification. The presence of two chlorine atoms and one nitro group attached to the same carbon creates significant electronic effects, making this compound valuable in synthetic chemistry applications. Its chemical behavior differs notably from simpler nitroalkanes and relates to other specialized compounds such as disodium hexafluorosilicon(2-), which also features multiple electronegative substituents, though in an entirely different chemical class. Safety considerations are paramount when working with 1,1-dichloro-1-nitroethane, as indicated by its GHS06 pictogram and "Danger" signal word. The compound's Acute Tox. 3 classification across multiple exposure routes necessitates appropriate personal protective equipment and controlled handling procedures. Its ADR classification as Class 6.1 reflects its toxic properties during transportation and storage. Primary industrial applications include its use as a chemical intermediate in organic synthesis, particularly in the preparation of specialized pharmaceuticals and agrochemicals. The compound also finds application in research and development activities where its unique reactivity profile is advantageous for creating complex molecular structures. OYSI maintains reliable supply chains for 1,1-dichloro-1-nitroethane to support European industrial and research customers requiring this specialized chemical intermediate.
Safety & Classification
Acute Tox. 3 *; Acute Tox. 3 *; Acute Tox. 3 *
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
Inhalation
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
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:
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 | 2650 |
| ADR Class | 6.1 |
| Packing Group | II |
| Tunnel Code | D/E |
| Proper Shipping Name | 1,1-Dichlor-1-nitroethan |
| Marine Pollutant | No |
Frequently Asked Questions
What is 1,1-dichloro-1-nitroethane?
1,1-dichloro-1-nitroethane is an organochlorine compound with the molecular formula C2H3Cl2NO2 and CAS number 594-72-9. This chemical substance has a molecular weight of 143.95 g/mol and contains both chlorine and nitro functional groups attached to an ethane backbone. It is classified as a hazardous substance with acute toxicity properties, requiring careful handling and safety precautions in industrial and laboratory applications.
What are the physicochemical properties of 1,1-dichloro-1-nitroethane?
1,1-dichloro-1-nitroethane is a halogenated nitroalkane with distinct physicochemical characteristics. As an organochlorine compound, it typically exists as a liquid at room temperature with properties influenced by its dual chlorine substitution and nitro group. The presence of electronegative chlorine atoms and the nitro functionality affects its polarity, boiling point, and solubility characteristics. Its molecular structure contributes to its chemical reactivity and stability under various conditions.
What is 1,1-dichloro-1-nitroethane used for?
1,1-dichloro-1-nitroethane serves as a chemical intermediate in organic synthesis and industrial processes. Its unique structure with both chlorine and nitro functionalities makes it valuable for producing specialized chemicals, pharmaceuticals, and agrochemical compounds. The compound may be used in research applications, as a synthetic building block, or in specialized chemical manufacturing processes where its specific reactivity profile is required for targeted chemical transformations.
How to handle 1,1-dichloro-1-nitroethane safely?
1,1-dichloro-1-nitroethane requires careful handling due to its Acute Tox. 3 classification and GHS06 pictogram indicating toxicity. Essential safety measures include wearing appropriate personal protective equipment such as 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 proper training on emergency procedures before handling this hazardous substance.
How to store 1,1-dichloro-1-nitroethane correctly?
1,1-dichloro-1-nitroethane should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. The storage area must be secured and accessible only to trained personnel due to its toxic properties. Containers should be tightly sealed and properly labeled according to CLP regulations. Storage facilities should include appropriate spill containment measures and emergency equipment. Regular inspection of containers for leaks or deterioration is essential for safe storage.
What to do in case of contact with 1,1-dichloro-1-nitroethane?
Immediate action is required in case of contact with 1,1-dichloro-1-nitroethane due to its acute toxicity. For skin contact, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for at least 15 minutes. If inhaled, move the person to fresh air immediately. Seek medical attention promptly in all cases of exposure and provide safety data sheet information to medical personnel.
How to dispose of 1,1-dichloro-1-nitroethane properly?
1,1-dichloro-1-nitroethane must be disposed of as hazardous waste in accordance with local, national, and European regulations. The substance cannot be disposed of in regular waste streams due to its toxic classification. Disposal should be handled by licensed hazardous waste management companies with appropriate permits. Incineration at authorized facilities with proper emission controls is typically the preferred disposal method. Always consult local environmental authorities for specific disposal requirements and approved waste handlers.
How to transport 1,1-dichloro-1-nitroethane?
1,1-dichloro-1-nitroethane is classified under ADR Class 6.1 (Toxic substances), Packing Group II, requiring strict compliance with dangerous goods transport regulations. Transportation must be conducted by certified carriers with proper documentation, labeling, and packaging specifications. Vehicles must display appropriate hazard placards, and drivers require dangerous goods training certification. Emergency response information must accompany shipments, and specific routing restrictions may apply depending on local regulations and transport modes.
Is 1,1-dichloro-1-nitroethane subject to specific regulations?
1,1-dichloro-1-nitroethane is subject to comprehensive European chemical regulations including REACH registration requirements and CLP classification obligations. The substance is classified with Acute Tox. 3 under CLP, requiring appropriate hazard communication through safety data sheets and labeling. While not currently listed as an SVHC, it remains under regulatory oversight due to its toxicity profile. Companies handling this substance must comply with occupational health regulations and may need specific permits or notifications depending on quantities and applications.
Where to buy 1,1-dichloro-1-nitroethane in Europe?
1,1-dichloro-1-nitroethane is available through OYSI, a European distributor specializing in technical chemicals and hazardous substances. OYSI provides reliable supply chains across Europe with proper documentation, safety data sheets, and regulatory compliance support. As a specialized chemical distributor, OYSI ensures appropriate packaging, labeling, and transport arrangements for this regulated substance. Contact OYSI directly for availability, technical specifications, and delivery options to your specific European location.
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1,1-dichloro-1-nitroethane 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.