4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline;hydrochloride
C13H9Cl2F4NO
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Identification
- CAS Number
- 113674-95-6
- EC Number
- 402-190-4
- UN Number
- 2811
- Index Number
- 612-094-00-6
- PubChem CID
- 18525688
Physical-chemical properties
- Molecular Formula
- C13H9Cl2F4NO
- Molar Mass
- 342.11 g/mol
- IUPAC Name
- 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline;hydrochloride
Chemical Identifiers
- InChI
- InChI=1S/C13H8ClF4NO.ClH/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8;/h1-6H,19H2;1H
- InChI Key
- BBBUNESZGCZWJR-UHFFFAOYSA-N
Overview
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline;hydrochloride (CAS 113674-95-6) is a halogenated aromatic amine compound with fluorine, chlorine substituents and trifluoromethyl functionality. This specialized chemical intermediate belongs to the family of substituted anilines, featuring a complex molecular structure with multiple halogen atoms that confer unique reactivity properties. With a molecular formula of C13H9Cl2F4NO and molecular weight of 342.11 g/mol, this compound represents an important building block in pharmaceutical and agrochemical synthesis. The presence of both electron-withdrawing groups (trifluoromethyl, chloro, fluoro) and the amine functionality makes it particularly valuable for creating bioactive molecules with enhanced potency and selectivity. The compound requires careful handling due to its classification under multiple hazard categories, including acute toxicity, specific target organ toxicity, eye damage, skin sensitization, and aquatic toxicity. The ADR Class 6.1 designation indicates its toxic nature, necessitating appropriate safety protocols during storage, handling, and transportation. Professional users must implement proper ventilation systems, personal protective equipment, and waste disposal procedures when working with this material. Industrial applications primarily focus on pharmaceutical intermediate synthesis, where its multi-halogenated structure enables the formation of complex drug candidates. The agrochemical sector also utilizes such compounds for developing crop protection agents with improved environmental profiles. Similar aromatic amines like 4-[(4-aminophenyl)methyl]aniline serve comparable roles in chemical synthesis, though with different substitution patterns affecting their specific applications. This technical-grade chemical intermediate is available through OYSI's European distribution network, supporting research and development activities across the pharmaceutical and specialty chemical industries.
Safety & Classification
Acute Tox. 4 *; STOT RE 1; STOT RE 2 *; Eye Dam. 1; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
Exclamation Mark
GHS07
Harmful. May cause irritation, allergic reactions, or drowsiness.
Health Hazard
GHS08
Serious health hazard. May cause cancer, organ damage, or genetic defects.
Corrosion
GHS05
Corrosive. Causes severe skin burns and eye damage.
Environment
GHS09
Environmental hazard. Toxic to aquatic life with long lasting effects.
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Harmful if swallowed.
Causes damage to organs through prolonged or repeated exposure.
May cause damage to organs through prolonged or repeated exposure.
Causes serious eye damage.
May cause an allergic skin reaction.
Very toxic to aquatic life.
Very toxic to aquatic life with long lasting effects.
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
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:
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +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 | 2811 |
| ADR Class | 6.1 |
| Packing Group | III |
| Tunnel Code | E |
| Proper Shipping Name | 4-(2-Chlor-4-trifluormethyl)phenoxy-2-fluoranilin-hydrochlorid |
| Marine Pollutant | No |
Frequently Asked Questions
What is 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline hydrochloride?
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline hydrochloride is a halogenated aromatic amine compound with CAS number 113674-95-6. This chemical features a complex molecular structure containing chlorine, fluorine, and trifluoromethyl groups attached to a phenoxy-aniline backbone. With a molecular formula of C13H9Cl2F4NO and molecular weight of 342.11 g/mol, it belongs to the class of substituted anilines commonly used in pharmaceutical and chemical synthesis applications.
What are the physicochemical properties of 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline hydrochloride?
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline hydrochloride is a solid compound at room temperature with a molecular weight of 342.11 g/mol. The presence of multiple halogen substituents (chlorine and fluorine atoms) and the trifluoromethyl group significantly influences its chemical stability and solubility characteristics. As a hydrochloride salt, it typically exhibits enhanced water solubility compared to its free base form, making it more suitable for various chemical processes and applications.
What is 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline hydrochloride used for?
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline hydrochloride is primarily used as an intermediate in pharmaceutical synthesis and chemical manufacturing. Its unique halogenated structure makes it valuable for developing agrochemicals, specialty chemicals, and pharmaceutical compounds. The compound serves as a building block in organic synthesis reactions, particularly in the production of more complex molecules where the specific arrangement of fluorine, chlorine, and trifluoromethyl groups provides desired chemical and biological properties.
How to handle 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline hydrochloride safely?
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline hydrochloride requires careful handling due to its classification as Acute Tox. 4, Eye Dam. 1, and Skin Sens. 1. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work in well-ventilated areas or use local exhaust ventilation to minimize inhalation exposure. Avoid generating dust and ensure proper hygiene practices including thorough hand washing after handling.
How to store 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline hydrochloride correctly?
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline hydrochloride should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and protected from moisture, heat, and direct sunlight. Due to its aquatic toxicity classification (Aquatic Acute 1, Aquatic Chronic 1), ensure storage areas are designed to prevent environmental release. Store separately from strong oxidizing agents, acids, and bases. Maintain appropriate temperature conditions to preserve chemical stability and prevent decomposition.
What to do in case of contact with 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline hydrochloride?
In case of skin contact with 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline hydrochloride, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with plenty of water for at least 15 minutes and seek immediate medical attention due to its Eye Dam. 1 classification. If inhaled, move to fresh air immediately. In all cases of exposure, seek medical advice promptly and provide the safety data sheet to medical personnel.
How to dispose of 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline hydrochloride appropriately?
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline hydrochloride must be disposed of as hazardous waste according to local, national, and EU regulations. Due to its aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1), prevent release to water bodies, soil, or atmosphere. Contact licensed waste disposal companies specialized in handling toxic chemicals. Incineration at high temperatures in approved facilities is typically the recommended disposal method. Never dispose of this substance through regular waste streams or pour down drains.
How to transport 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline hydrochloride?
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline hydrochloride is classified as ADR Class 6.1 (toxic substances), Packing Group III for transportation. It requires appropriate hazardous goods packaging, labeling, and documentation according to ADR regulations. Vehicles must display proper hazard placards and carry emergency response information. Only trained personnel should handle the transportation, and drivers must possess appropriate hazardous materials certifications. Ensure packages are properly secured and protected from damage during transit.
Is 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline hydrochloride subject to specific regulations?
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline hydrochloride is subject to REACH regulation requiring registration for manufacture or import above one tonne per year. It must comply with CLP regulation for classification, labeling, and packaging with GHS pictograms (GHS05, GHS07, GHS08, GHS09) and danger signal word. While not currently listed as SVHC, its multiple hazard classifications require strict compliance with occupational safety regulations and environmental protection measures throughout the supply chain.
Where to buy 4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline hydrochloride in Europe?
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline hydrochloride is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound with proper regulatory documentation, safety data sheets, and certificates of analysis. As a professional chemical supplier, OYSI ensures compliance with European regulations including REACH registration requirements and proper hazardous goods handling. Contact OYSI directly for availability, specifications, and pricing information for your specific application requirements.
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4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline;hydrochloride 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.