3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one
C16H8Cl2FN5O
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Identification
- CAS Number
- 136426-54-5
- EC Number
- 411-960-9
- UN Number
- 2761
- Index Number
- 613-173-00-8
- PubChem CID
- 86417
Physical-chemical properties
- Molecular Formula
- C16H8Cl2FN5O
- Molar Mass
- 376.20 g/mol
- IUPAC Name
- 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one
Chemical Identifiers
- InChI
- InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H
- InChI Key
- IJJVMEJXYNJXOJ-UHFFFAOYSA-N
Overview
3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one (CAS 136426-54-5) is a halogenated quinazolinone derivative with triazole functionality and broad-spectrum biological activity. This sophisticated heterocyclic compound represents an important class of bioactive molecules characterized by its complex molecular structure incorporating multiple pharmacophores. With the molecular formula C16H8Cl2FN5O and a molecular weight of 376.2 g/mol, this quinazolinone derivative features a unique combination of dichlorophenyl, fluoroquinazolinone, and triazole moieties that contribute to its distinctive chemical and biological properties. The compound exhibits significant safety considerations, classified under multiple acute toxicity categories (Acute Tox. 3 and 4) and specific target organ toxicity for repeated exposure (STOT RE 1). Its hazard profile includes skin irritation potential and acute aquatic toxicity, requiring careful handling protocols and appropriate personal protective equipment. The presence of GHS06, GHS08, and GHS09 pictogrammes emphasizes the need for specialized storage and transportation procedures under ADR Class 6.1 regulations. From a structural perspective, this molecule shares certain characteristics with other nitrogen-containing aromatic compounds, though it differs significantly from simpler structures like N-methylaniline in terms of complexity and biological activity. The triazole ring system contributes to its stability and binding properties, making it valuable for specific technical applications. Primary industrial applications include pharmaceutical intermediate synthesis, agricultural chemical development, and specialized research applications requiring precise molecular recognition properties. The compound's unique structural features make it particularly valuable in medicinal chemistry and crop protection research. OYSI maintains reliable supply chains for this specialized quinazolinone derivative, supporting European customers with comprehensive technical documentation and regulatory compliance support.
Safety & Classification
Acute Tox. 3 *; Acute Tox. 4 *; Acute Tox. 3 *; STOT RE 1; Skin Irrit. 2; Aquatic Acute 1; Aquati...
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
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 | 2761 |
| ADR Class | 6.1 |
| Packing Group | III |
| Tunnel Code | E |
| Proper Shipping Name | Fluquinconazol (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one?
3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one is a synthetic organic compound with CAS number 136426-54-5 and molecular formula C16H8Cl2FN5O. This quinazolinone derivative contains multiple functional groups including dichlorophenyl, fluoro, and triazole moieties. With a molecular weight of 376.2 g/mol, it belongs to the class of heterocyclic compounds and is classified as a hazardous substance requiring careful handling due to its toxicological properties.
What are the physicochemical properties of 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one?
3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one is a solid crystalline compound at room temperature with a molecular weight of 376.2 g/mol. The presence of multiple aromatic rings and halogen substituents suggests limited water solubility but good solubility in organic solvents. The compound's stability and specific physical properties like melting point, color, and odor depend on purity and crystalline form, requiring analytical characterization for precise determination.
What is 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one used for?
3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one is primarily used as a research chemical and pharmaceutical intermediate in drug discovery and development. Its quinazolinone structure with triazole and halogenated aromatic substituents makes it valuable for medicinal chemistry applications, particularly in the development of antifungal or anticancer agents. The compound may also serve as a synthetic building block for creating more complex pharmaceutical compounds.
How to handle 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one safely?
Safe handling requires wearing appropriate personal protective equipment including nitrile gloves, safety goggles, and lab coats due to its Acute Tox. 3 and Skin Irrit. 2 classifications. Work should be conducted in a well-ventilated area or fume hood to prevent inhalation exposure. Avoid skin and eye contact, and prevent dust formation during weighing and transfer operations. Always wash hands thoroughly after handling and follow good laboratory practices.
How to store 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one correctly?
Proper storage requires keeping the compound in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Store in tightly sealed original containers, preferably under inert atmosphere to prevent degradation. Due to its hazardous classification, it should be stored in a designated chemical storage area with restricted access, separated from incompatible materials like strong oxidizers and reducing agents. Maintain storage temperature as recommended by the manufacturer.
What to do in case of contact with 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one?
Immediate first aid measures include removing contaminated clothing and flushing affected skin areas with plenty of water for at least 15 minutes. In case of eye contact, rinse thoroughly with water and remove contact lenses if easily removable. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult a physician in case of exposure, bringing the safety data sheet for reference.
How to dispose of 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one appropriately?
Disposal must comply with local, national, and international regulations for hazardous waste due to its toxic and environmentally hazardous properties. The compound should be collected in suitable containers and disposed of through licensed hazardous waste disposal companies. Never dispose of in regular trash, sewers, or water bodies due to its Aquatic Acute 1 classification. Incineration at authorized facilities capable of handling halogenated compounds is typically the preferred disposal method.
How to transport 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one?
Transportation is regulated under ADR Class 6.1 (Toxic substances), Packing Group III, requiring appropriate packaging, labeling, and documentation. Packages must bear proper shipping names, UN numbers, and hazard labels including GHS06, GHS08, and GHS09 pictograms. Only authorized carriers trained in hazardous materials transport should handle shipments. Proper shipping papers and emergency response information must accompany the shipment throughout transit.
Is 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one subject to specific regulations?
The compound is subject to European CLP regulation requiring proper classification and labeling with Danger signal word and appropriate pictograms. Under REACH regulation, it requires registration for commercial use above tonnage thresholds. It is not currently listed as a Substance of Very High Concern (SVHC). Import/export may require permits depending on end-use and destination country regulations. Workplace exposure limits and safety measures must comply with national occupational health regulations.
Where to buy 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one in Europe?
OYSI serves as a reliable European distributor for 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one, providing quality chemicals to research institutions and pharmaceutical companies across Europe. As a specialized chemical distributor, OYSI ensures proper handling, packaging, and regulatory compliance for hazardous substances. Contact OYSI directly for availability, specifications, and pricing information, along with technical support and safety documentation required for your specific application needs.
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ADR Consulting for 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one
3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-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.