4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
C19H17ClN4
Consulting for 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
Our experts support you with application, dosage, and compliance.
Identification
- CAS Number
- 114369-43-6
- EC Number
- 406-140-2
- UN Number
- 3077
- Index Number
- 608-023-00-3
- PubChem CID
- 86138
Physical-chemical properties
- Molecular Formula
- C19H17ClN4
- Molar Mass
- 336.80 g/mol
- IUPAC Name
- 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
Chemical Identifiers
- InChI
- InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2
- InChI Key
- RQDJADAKIFFEKQ-UHFFFAOYSA-N
Overview
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile (CAS 114369-43-6) is an organonitrile compound featuring triazole and chlorophenyl functional groups with specialized chemical properties. This complex organic molecule represents a sophisticated nitrile derivative incorporating multiple aromatic systems, including a chlorinated phenyl ring, a phenyl group, and a triazole heterocycle. The compound's molecular structure (C19H17ClN4) with a molecular weight of 336.8 g/mol demonstrates the integration of diverse functional groups that contribute to its unique chemical behavior and industrial applications. The substance exhibits significant environmental considerations, classified under Aquatic Acute 1 and Aquatic Chronic 1 hazard categories, requiring careful handling protocols to prevent environmental contamination. The GHS09 pictogram and "Warning" signal word indicate moderate hazard potential, primarily related to aquatic toxicity concerns. Transportation falls under ADR Class 9, designating it as a miscellaneous dangerous substance requiring appropriate shipping procedures. From a chemical perspective, the triazole moiety provides interesting coordination chemistry possibilities, while the nitrile group offers potential for further synthetic transformations. The chlorophenyl substituent enhances the compound's stability and influences its physicochemical properties. These structural features distinguish it from related compounds such as 1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide, which lacks the triazole functionality. Primary industrial applications include use as a chemical intermediate in pharmaceutical synthesis, specialty polymer development, and advanced material formulations. The compound also serves in research applications requiring specific triazole-containing building blocks. Its unique combination of functional groups makes it valuable for developing agrochemicals and specialty chemical products. OYSI maintains reliable supply chains for this specialized chemical intermediate, ensuring consistent availability for European industrial customers requiring high-quality organonitrile compounds.
Safety & Classification
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
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Fenbuconazol (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile?
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile is an organic chemical compound with the molecular formula C19H17ClN4 and CAS number 114369-43-6. This substance has a molecular weight of 336.8 g/mol and features a complex structure containing chlorophenyl, phenyl, triazole, and nitrile functional groups. It is classified as highly toxic to aquatic life with long-lasting effects, requiring careful environmental consideration during handling and use.
What are the physicochemical properties of 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile?
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile is a solid organic compound at room temperature with a molecular weight of 336.8 g/mol. The substance contains multiple aromatic rings and functional groups including a nitrile group, which typically confers stability and specific reactivity patterns. Its complex structure with chlorinated and triazole components suggests limited water solubility and potential for bioaccumulation, explaining its aquatic toxicity classification.
What is 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile used for?
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its triazole moiety and complex aromatic structure make it valuable for developing biologically active compounds. The substance may serve as a building block for antifungal agents, pharmaceutical intermediates, or specialty chemicals requiring specific structural features. Industrial applications focus on research and development rather than direct end-use products.
How to handle 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile safely?
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile requires standard laboratory safety precautions including wearing protective gloves, safety glasses, and lab coats. Handle in well-ventilated areas or under fume hoods to prevent inhalation. Given its aquatic toxicity classification (GHS09), prevent environmental release and avoid contact with drainage systems. Use appropriate secondary containment and ensure personnel are trained in chemical handling procedures. Wash hands thoroughly after handling and avoid eating or drinking in work areas.
How to store 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile properly?
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed to prevent moisture ingress and contamination. Store away from heat sources, direct sunlight, and oxidizing agents. Due to its environmental hazard classification, ensure proper secondary containment to prevent accidental release. Follow local regulations for chemical storage and maintain appropriate inventory records. Store separately from food, beverages, and animal feed.
What to do in case of contact with 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile?
Immediate action is required following contact with 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. In case of eye contact, rinse immediately with plenty of water for at least 15 minutes and remove contact lenses if present. If inhaled, move to fresh air immediately. Seek medical attention if irritation persists or if large quantities were involved. Have safety data sheet available for medical personnel.
How to dispose of 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile appropriately?
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile must be disposed of through licensed hazardous waste contractors due to its aquatic toxicity classification. Never discharge to sewers, waterways, or soil as it poses significant environmental risks. Collect waste in appropriate, labeled containers and store in designated hazardous waste areas. Follow local and national regulations for hazardous chemical disposal. Consider incineration at approved high-temperature facilities as a preferred disposal method. Maintain disposal records for regulatory compliance.
How to transport 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile?
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III for transport purposes. This requires appropriate UN specification packaging, proper labeling with Class 9 hazard labels, and transport documentation. Vehicles must carry appropriate emergency equipment and drivers need ADR training. Ensure packages are secure, properly marked, and accompanied by safety data sheets. Follow ADR regulations for loading, segregation, and route restrictions as applicable.
Is 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile subject to specific regulations?
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile is subject to standard REACH registration requirements and CLP classification regulations in Europe. While not currently listed as a Substance of Very High Concern (SVHC), its aquatic toxicity classification requires compliance with environmental protection regulations. Users must follow workplace exposure limits, environmental discharge controls, and proper waste management procedures. Companies handling this substance need appropriate risk assessments and safety measures in place according to occupational health and safety legislation.
Where to buy 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile in Europe?
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile is available through OYSI, a trusted European distributor of specialty chemicals. OYSI provides reliable supply chains, proper documentation, and technical support for chemical procurement across Europe. As a specialized chemical intermediate, availability may be limited to qualified industrial and research customers. Contact OYSI directly for current availability, specifications, and delivery options. Ensure your organization has appropriate handling capabilities and regulatory compliance before ordering this environmentally hazardous substance.
Services for 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
Order 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
Fast delivery across Europe
SDS Service
Request Safety Data Sheet for 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
Technical Consulting
Application advice for 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
REACH Safety Data Sheet
REACH Compliance Service
Digital Product Passport
EU-compliant product documentation
ADR Consulting for 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile 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.