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 specialized quinazolinone derivative featuring triazole and halogenated phenyl substituents. This complex heterocyclic compound, with the molecular formula C16H8Cl2FN5O and molecular weight of 376.2 g/mol, belongs to the quinazolinone family of organic compounds. The molecule incorporates multiple functional groups including a dichlorophenyl ring, a fluorine atom, and a triazole moiety, which contribute to its unique chemical properties and biological activity profile. The presence of these electron-withdrawing substituents significantly influences the compound's reactivity and stability characteristics. From a safety perspective, this substance requires careful handling as indicated by its classification under multiple acute toxicity categories (Acute Tox. 3 and 4) and specific target organ toxicity (STOT RE 1). The compound also exhibits skin irritation properties and presents environmental concerns with its Aquatic Acute 1 classification. The GHS pictograms GHS06, GHS08, and GHS09 emphasize the need for appropriate personal protective equipment and environmental precautions. Its ADR classification as Class 6.1 indicates toxic substance transport requirements. Industrial applications typically include pharmaceutical intermediate synthesis and specialized chemical research. The compound's structural complexity makes it valuable in medicinal chemistry programs, particularly those targeting specific biological pathways. Unlike simpler aromatic compounds such as N-methylaniline, this quinazolinone derivative offers enhanced selectivity in biochemical applications due to its multiple heteroatoms and substituent pattern. OYSI maintains technical-grade stocks of this specialized compound to support European research and development programs requiring high-purity heterocyclic intermediates.
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 the molecular formula C16H8Cl2FN5O and CAS number 136426-54-5. This quinazoline derivative contains multiple halogen atoms (chlorine and fluorine) and a triazole ring system. With a molecular weight of 376.2 g/mol, it represents a complex heterocyclic structure typically used in pharmaceutical or agrochemical applications due to its specific bioactive 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 crystalline solid at room temperature with a molecular weight of 376.2 g/mol. The compound contains multiple aromatic rings with halogen substituents, which typically confer low water solubility and moderate lipophilicity. The presence of nitrogen-containing heterocycles and halogen atoms influences its chemical stability and reactivity. Specific physical properties such as melting point and solubility data should be obtained from detailed analytical certificates.
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 an intermediate in pharmaceutical synthesis and agrochemical research. The quinazoline scaffold combined with triazole functionality makes it valuable for developing bioactive compounds with potential antifungal, antiviral, or anticancer properties. It serves as a building block in medicinal chemistry for creating more complex therapeutic molecules. Industrial applications include use in specialized chemical synthesis and research laboratories developing new active pharmaceutical ingredients.
How to handle 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one safely?
3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one requires careful handling due to its Acute Tox. 3 and 4 classifications. Essential personal protective equipment includes 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 contact and ingestion. The compound's skin irritant properties (Skin Irrit. 2) necessitate immediate washing if contact occurs. Handle with appropriate laboratory safety protocols for toxic substances.
How to store 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one correctly?
3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one should be stored in a cool, dry place away from direct sunlight and heat sources. Keep containers tightly closed in a well-ventilated area, preferably in a dedicated chemical storage facility. Due to its toxic properties, store separately from food, feed, and incompatible materials. Maintain storage temperature as specified on the product label. Ensure proper labeling with hazard information and implement appropriate access controls to prevent unauthorized handling.
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 action is required upon contact with 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one due to its toxic and irritant properties. For skin contact, immediately wash with plenty of soap and water for at least 15 minutes. If inhaled, move to fresh air immediately. In case of eye contact, rinse thoroughly with water for several minutes. If ingested, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for complete first aid procedures and contact poison control if necessary.
How to dispose of 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one appropriately?
3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one must be disposed of as hazardous waste due to its toxic properties and environmental hazard classification (Aquatic Acute 1). Contact licensed hazardous waste disposal companies for proper handling and destruction. Never dispose of this substance in regular waste streams, sewers, or water bodies. Follow local and national regulations for hazardous chemical disposal. Maintain disposal records as required by environmental authorities. Consider incineration at authorized high-temperature facilities as the preferred disposal method.
How to transport 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 classified under ADR Class 6.1 (Toxic substances), Packing Group III for transportation. This classification requires appropriate UN-specification packaging, proper labeling with toxic substance markings, and accompanying transport documents. Vehicles must display appropriate placards during transport. Drivers need ADR training certification for Class 6.1 materials. Ensure compliance with international dangerous goods regulations (ADR/RID/IMDG/IATA) depending on transport mode. Use certified packaging providers and experienced logistics companies familiar with toxic substance transport requirements.
Is 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one subject to specific regulations?
3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one is subject to standard EU chemical regulations including REACH and CLP classifications. The substance is not currently listed as a Substance of Very High Concern (SVHC). However, its toxic properties require compliance with workplace safety regulations, environmental protection laws, and proper classification under the CLP Regulation with appropriate hazard pictogrammes (GHS06, GHS08, GHS09). Users must ensure proper risk assessments, safety data sheet distribution, and worker protection measures according to relevant occupational health and safety directives.
Where to buy 3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one in Europe?
3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides reliable supply chain management, proper documentation, and regulatory compliance support for hazardous substances throughout Europe. As an established chemical distributor, OYSI ensures appropriate packaging, transport compliance, and technical support for professional users. Contact OYSI directly for availability, specifications, and regulatory documentation including safety data sheets and certificates of analysis for this specialized quinazoline compound.
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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.