3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline
C8H5Cl2F4NO
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Identification
- CAS Number
- 104147-32-2
- EC Number
- 401-790-3
- UN Number
- 3077
- Index Number
- 612-093-00-0
- PubChem CID
- 5463763
Physical-chemical properties
- Molecular Formula
- C8H5Cl2F4NO
- Molar Mass
- 278.03 g/mol
- IUPAC Name
- 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline
Chemical Identifiers
- InChI
- InChI=1S/C8H5Cl2F4NO/c9-4-1-3(15)2-5(10)6(4)16-8(13,14)7(11)12/h1-2,7H,15H2
- InChI Key
- JIPDPVQPKLVDIU-UHFFFAOYSA-N
Overview
3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline (CAS 104147-32-2) is a halogenated aromatic amine with dual chlorine and tetrafluoroethoxy substitutions providing unique reactivity properties. This specialized fluorinated aniline derivative represents an important intermediate in pharmaceutical and agrochemical synthesis. With its molecular formula C8H5Cl2F4NO and molecular weight of 278.03 g/mol, this compound combines the electron-withdrawing effects of chlorine substituents at positions 3 and 5 with the highly electronegative tetrafluoroethoxy group at position 4. The strategic placement of these functional groups creates a unique electronic environment that influences both its chemical reactivity and biological activity profile. The compound exhibits significant safety considerations, classified under GHS07 and GHS09 pictograms with a "Warning" signal word. Its hazard profile includes Acute Toxicity Category 4 and Aquatic toxicity classifications (both Acute 1 and Chronic 1), requiring careful handling protocols and environmental protection measures during transportation as Class 9 dangerous goods under ADR regulations. Primary industrial applications include its use as a key building block in pharmaceutical intermediate synthesis, particularly for compounds requiring specific fluorine-substituted aromatic systems. The agrochemical sector also utilizes this compound for developing crop protection agents where the combination of chlorine and fluorine substituents provides enhanced biological activity. Its structural complexity makes it valuable for creating molecules with improved metabolic stability compared to simpler aromatic amines like those found in triazine derivatives such as 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine. OYSI maintains reliable supply chains for this specialized fluorinated aniline to support European pharmaceutical and agrochemical manufacturing requirements.
Safety & Classification
Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1
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 | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 3,5-Dichlor-4-(1,1,2,2-tetrafluorethoxy)anilin, fest |
| Marine Pollutant | No |
Frequently Asked Questions
What is 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline?
3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline is a halogenated aromatic amine compound with the molecular formula C8H5Cl2F4NO and CAS number 104147-32-2. This specialty chemical features both chlorine and fluorine substituents on an aniline backbone, with a tetrafluoroethoxy group providing unique chemical properties. The compound has a molecular weight of 278.03 g/mol and is classified as moderately toxic and harmful to aquatic environments.
What are the physicochemical properties of 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline?
3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline is typically a solid at room temperature due to its aromatic structure and halogen substituents. The presence of multiple fluorine atoms and chlorine groups significantly affects its polarity and solubility characteristics. The tetrafluoroethoxy group imparts hydrophobic properties while the aniline moiety provides some polar character. Specific physical properties such as melting point, boiling point, and exact solubility data should be obtained from detailed technical specifications.
What is 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline used for?
3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. The compound's unique halogenated structure makes it valuable for developing pesticides, herbicides, and pharmaceutical active ingredients where fluorinated aromatic compounds are required. It may also serve as a building block in specialty chemical manufacturing, particularly in applications requiring specific electronic properties conferred by the halogen substituents and the aniline functionality.
How to handle 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline safely?
3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline requires careful handling due to its Acute Tox. 4 classification. Essential protective equipment includes chemical-resistant gloves, safety goggles, and appropriate respiratory protection in poorly ventilated areas. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin and eye contact, and ensure proper hygiene practices including washing hands thoroughly after handling. Emergency eyewash and shower facilities should be readily accessible.
How to store 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline correctly?
3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Use tightly sealed, chemically compatible containers to prevent moisture absorption and contamination. Store separately from strong oxidizing agents, acids, and bases due to the reactive aniline group. Ensure storage areas have appropriate spill containment measures and are equipped with fire suppression systems. Regular container integrity checks are recommended to prevent environmental release.
What to do in case of contact with 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline?
Immediate action is required upon contact with 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. If swallowed, do not induce vomiting and seek immediate medical attention. Always consult a physician if symptoms develop or persist.
How to dispose of 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline appropriately?
3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline must be disposed of as hazardous waste through licensed waste management companies due to its toxicity and environmental hazard classifications. The compound cannot be disposed of in regular waste streams or sewerage systems given its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Incineration at high temperatures in specialized facilities is typically the preferred method. Always consult local environmental regulations and use certified waste disposal contractors for proper handling and documentation.
How to transport 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline?
3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III for transport purposes. This classification requires appropriate dangerous goods packaging, labeling with Class 9 hazard labels, and proper shipping documentation. Transport should be conducted by trained personnel familiar with dangerous goods regulations. Vehicles must carry appropriate emergency equipment and spill response materials. Ensure compliance with all applicable national and international transport regulations including ADR, IMDG, and IATA as relevant.
Is 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline subject to specific regulations?
3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline is subject to various chemical regulations including REACH registration requirements in Europe and CLP classification obligations. The compound is not currently listed as a Substance of Very High Concern (SVHC), but its toxicity and environmental hazard classifications require compliance with safety data sheet provisions and workplace exposure controls. Users must ensure proper risk assessments are conducted and appropriate risk management measures are implemented according to applicable chemical safety regulations.
Where to buy 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline in Europe?
3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline is available through OYSI, a specialized European distributor of technical chemicals and intermediates. OYSI provides reliable supply chains for pharmaceutical and chemical industry customers across Europe, ensuring proper handling, documentation, and regulatory compliance. As a specialty chemical requiring expert handling, purchasing from established distributors like OYSI ensures product quality, proper packaging, and comprehensive safety documentation including safety data sheets and certificates of analysis.
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3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline 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.