1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene
C7H2ClF5
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Identification
- CAS Number
- 77227-99-7
- EC Number
- 401-930-3
- UN Number
- 1993
- Index Number
- 602-070-00-3
- PubChem CID
- 2736496
Physical-chemical properties
- Molecular Formula
- C7H2ClF5
- Molar Mass
- 216.53 g/mol
- IUPAC Name
- 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene
Chemical Identifiers
- InChI
- InChI=1S/C7H2ClF5/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
- InChI Key
- RZMVFJHGONCXQR-UHFFFAOYSA-N
Overview
1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene (CAS 77227-99-7) is a halogenated aromatic compound with multiple fluorine substituents and notable reactivity properties. This specialized fluorinated benzene derivative represents an important class of organofluorine compounds used in advanced chemical synthesis and industrial applications. The molecule features a benzene ring substituted with one chlorine atom, two fluorine atoms, and a trifluoromethyl group, giving it the molecular formula C7H2ClF5 and a molecular weight of 216.53 g/mol. The extensive fluorination pattern significantly influences its chemical behavior, stability, and applications compared to simpler halogenated aromatics like chlorobenzene or bromobenzene. The compound exhibits flammable liquid properties (Class 3) and requires careful handling due to its classification as Acute Tox. 4 and potential aquatic toxicity. Its unique substitution pattern makes it particularly valuable as a building block in pharmaceutical intermediate synthesis, agrochemical development, and specialty polymer production. The trifluoromethyl group imparts enhanced metabolic stability and lipophilicity, characteristics highly sought after in drug discovery and crop protection chemistry. Safety protocols must address its flammable nature and potential health hazards, with appropriate ventilation, fire prevention measures, and personal protective equipment essential during handling and storage. The compound's environmental classification as Aquatic Acute 1 necessitates strict containment procedures to prevent environmental release. Industrial applications include use as an intermediate in the synthesis of fluorinated pharmaceuticals, advanced materials for electronics, and specialized surfactants. Its reactivity profile allows for selective functionalization reactions while maintaining the fluorinated framework. OYSI provides reliable access to 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene with comprehensive technical support and regulatory documentation for European industrial customers.
Safety & Classification
Flam. Liq. 3; Acute Tox. 4 *; Acute Tox. 4 *; Aquatic Acute 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
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:
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 | 1993 |
| ADR Class | 3 |
| Packing Group | III |
| Tunnel Code | D/E |
| Proper Shipping Name | 1-Chlor-2,3-difluor-5-(trifluormethyl)benzen |
| Marine Pollutant | No |
Frequently Asked Questions
What is 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene?
1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene is a halogenated aromatic compound with the molecular formula C7H2ClF5 and CAS number 77227-99-7. This synthetic organic chemical contains multiple fluorine atoms and one chlorine atom attached to a benzene ring, giving it a molecular weight of 216.53 g/mol. It belongs to the class of polyfluorinated aromatic compounds used primarily in specialized chemical applications requiring high chemical stability and unique reactivity profiles.
What are the physicochemical properties of 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene?
1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene is a flammable liquid at room temperature with high chemical stability due to its fluorinated structure. The compound exhibits low solubility in water but good solubility in organic solvents. Its multiple halogen substituents contribute to its relatively high density and boiling point compared to unsubstituted benzene. The trifluoromethyl group imparts electron-withdrawing properties, affecting its reactivity and making it resistant to many chemical transformations.
What is 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene used for?
1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene is primarily used as an intermediate in pharmaceutical synthesis and agrochemical manufacturing. Its unique substitution pattern makes it valuable for creating complex fluorinated compounds with specific biological activities. The compound serves as a building block in medicinal chemistry for developing drugs requiring fluorinated aromatic moieties. It is also utilized in specialty chemical production where high chemical stability and specific electronic properties are required for advanced materials applications.
How to handle 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene safely?
Safe handling of 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene requires 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. The compound is classified as Acute Tox. 4 and Flam. Liq. 3, requiring fire prevention measures and avoiding ignition sources. Ensure proper grounding of equipment and use non-sparking tools when transferring the material.
How to store 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene correctly?
1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and ignition points. As a flammable liquid (Class 3), it requires storage in fire-resistant cabinets with appropriate ventilation. Keep containers upright and protected from physical damage. Store separately from oxidizing agents and incompatible materials. Maintain storage temperatures below the substance's flash point and ensure proper labeling according to GHS requirements including pictograms GHS02, GHS07, and GHS09.
What to do in case of contact with 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene?
In case of skin contact with 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene, immediately remove contaminated clothing and wash the affected area with plenty of soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move the person to fresh air and seek medical attention if breathing difficulties occur. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult a physician if symptoms persist after exposure.
How to dispose of 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene properly?
Proper disposal of 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene must comply with local, national, and European waste regulations. The compound should be treated as hazardous waste due to its flammability and toxicity classifications. Contact licensed waste disposal companies specialized in handling halogenated organic compounds. Incineration at high temperatures in authorized facilities is typically the preferred disposal method. Never dispose of this substance in regular waste streams, sewers, or soil. Maintain proper documentation of waste disposal as required by regulatory authorities.
How to transport 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene?
Transportation of 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene follows ADR Class 3, Packing Group III regulations for flammable liquids. Packages must be properly labeled with appropriate hazard markings and UN identification numbers. Use approved containers and packaging materials designed for flammable substances. Transport vehicles must comply with ADR requirements including proper ventilation, fire extinguishing equipment, and driver training certifications. Ensure transport documents include proper shipping names, hazard classes, and emergency contact information for safe handling during transit.
Is 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene subject to specific regulations?
1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene is subject to standard European chemical regulations including REACH registration requirements and CLP classification obligations. The compound is not currently listed as a Substance of Very High Concern (SVHC). Manufacturers and importers must comply with safety data sheet requirements and hazard communication standards. Users must follow workplace exposure limits and environmental protection measures. The substance's aquatic toxicity classification (Aquatic Acute 1) requires special attention to environmental release prevention and reporting requirements under relevant environmental legislation.
Where to buy 1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene in Europe?
1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene is available through OYSI, a European distributor of specialty chemicals serving industrial and research customers. OYSI provides this compound with full regulatory compliance including proper documentation, safety data sheets, and quality certifications. As a specialized fluorinated aromatic compound, availability may require advance ordering due to its niche applications. Contact OYSI directly for current availability, specifications, and technical support to ensure the product meets your specific application requirements while maintaining full regulatory compliance.
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1-chloro-2,3-difluoro-5-(trifluoromethyl)benzene 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.