4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline

C14H17N5

CAS152828-25-6
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
152828-25-6
EC Number
415-910-7
UN Number
3077
Index Number
611-138-00-1
PubChem CID
15333433

Physical-chemical properties

Molecular Formula
C14H17N5
Molar Mass
255.32 g/mol
IUPAC Name
4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline

Chemical Identifiers

InChI
InChI=1S/C14H17N5/c1-14(2,3)11-8-12-16-13(18-19(12)17-11)9-4-6-10(15)7-5-9/h4-8,17H,15H2,1-3H3
InChI Key
YSZXPOQOSPQIFI-UHFFFAOYSA-N

Overview

4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline (CAS 152828-25-6) is a heterocyclic aromatic compound featuring both pyrazolotriazole and aniline functional groups with potential pharmaceutical applications. This specialized organic compound represents an important class of nitrogen-containing heterocycles that combine the structural elements of pyrazole, triazole, and aniline moieties within a single molecule. The presence of the tert-butyl substituent at the 6-position provides enhanced steric hindrance and potential stability characteristics, while the aniline group offers reactive amino functionality for further chemical transformations. With a molecular formula of C14H17N5 and molecular weight of 255.32 g/mol, this compound demonstrates the complexity typical of modern pharmaceutical intermediates and specialty chemicals. From a safety perspective, this substance is classified as a skin sensitizer (Skin Sens. 1) and poses chronic aquatic toxicity concerns (Aquatic Chronic 2), requiring appropriate handling protocols including personal protective equipment and environmental containment measures. The GHS07 and GHS09 pictograms indicate both health hazards and environmental risks, while the ADR Class 9 classification designates it as a miscellaneous dangerous substance for transport purposes. The compound finds primary applications in pharmaceutical research and development, particularly as a building block for drug discovery programs targeting various therapeutic areas. It also serves as an intermediate in the synthesis of more complex heterocyclic compounds and may be utilized in materials science applications requiring specific electronic or optical properties. Unlike simpler aromatic amines such as 2-phenylsulfanylaniline, this compound's fused ring system provides unique reactivity patterns and biological activity profiles. OYSI maintains reliable supply chains for this specialized pharmaceutical intermediate, ensuring consistent availability for European research and industrial customers.

Safety & Classification

Warning
Classification:

Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H317

May cause an allergic skin reaction.

H411

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

Irritant

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:

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name2-(4-Aminophenyl)-6-tert-butyl-1H-pyrazolo[1,5-b][1,2,4]triazol
Marine PollutantNo

Frequently Asked Questions

What is 4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline?

4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline is a specialized organic compound with the molecular formula C14H17N5 and molecular weight 255.32 g/mol. This heterocyclic aromatic amine contains both pyrazolo-triazole and aniline functional groups, making it a versatile chemical intermediate. The compound is classified under CAS number 152828-25-6 and features a tert-butyl substituent that enhances its stability and modifies its reactivity profile for various synthetic applications.

What are the physicochemical properties of 4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline?

4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline is a solid organic compound at room temperature with a molecular weight of 255.32 g/mol. The compound contains multiple nitrogen atoms within its heterocyclic structure, contributing to its chemical reactivity. Its tert-butyl group provides steric hindrance and affects solubility characteristics. Specific physical properties such as melting point, boiling point, and exact solubility data should be confirmed through detailed technical specifications or analytical testing.

What is 4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline used for?

4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline serves primarily as a chemical intermediate in pharmaceutical and fine chemical synthesis. Its unique pyrazolo-triazole structure makes it valuable for developing bioactive compounds, particularly in medicinal chemistry research. The aniline functionality allows for further derivatization through standard aromatic substitution reactions. This compound may also find applications in materials science, agrochemical development, and as a building block for more complex heterocyclic systems in specialized industrial processes.

How to handle 4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline safely?

4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline requires careful handling due to its skin sensitization properties (Skin Sens. 1). Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume extraction systems to minimize inhalation exposure. Avoid direct skin and eye contact. Handle in accordance with GHS07 pictogram requirements and ensure proper training on chemical safety protocols before use.

How to store 4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline properly?

4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline should be stored in a cool, dry place away from direct sunlight and heat sources. Keep containers tightly sealed to prevent moisture absorption and contamination. Store separately from strong oxidizing agents and incompatible materials. Ensure storage areas are well-ventilated and equipped with appropriate spill containment measures. Given its environmental hazard classification (Aquatic Chronic 2), prevent release to the environment and maintain proper inventory records for regulatory compliance.

What to do in case of contact with 4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline?

Skin contact with 4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline requires immediate removal of contaminated clothing and thorough washing with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes and seek medical attention. If inhaled, move to fresh air immediately. Due to the compound's skin sensitization potential, monitor for allergic reactions and seek medical advice if symptoms develop. Always consult the safety data sheet for complete first aid procedures.

How to dispose of 4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline properly?

4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline must be disposed of through licensed hazardous waste contractors in compliance with local environmental regulations. Due to its Aquatic Chronic 2 classification, prevent release to water systems or soil. Contaminated materials should be treated as hazardous waste. Small quantities may be suitable for high-temperature incineration at authorized facilities. Always check local and national waste disposal regulations, and maintain proper waste documentation for regulatory compliance and environmental protection.

How to transport 4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline?

4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Use UN-specification packaging and ensure proper hazard markings and transport documents are in place. Drivers must hold valid dangerous goods certification. Follow ADR requirements for loading, segregation, and emergency procedures during transport to ensure safety and regulatory compliance.

Is 4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline subject to specific regulations?

4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline falls under REACH registration requirements in Europe and must comply with CLP classification and labeling regulations. The compound is not currently listed as a Substance of Very High Concern (SVHC). Its Skin Sens. 1 and Aquatic Chronic 2 classifications require specific hazard communication through safety data sheets and appropriate labeling with GHS07 and GHS09 pictograms. Users must ensure compliance with occupational exposure limits and environmental protection measures.

Where to buy 4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline in Europe?

4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline is available through OYSI, a leading European distributor of specialty chemicals. OYSI provides reliable supply chains across Europe with proper documentation, quality assurance, and regulatory compliance support. As specialists in fine and pharmaceutical chemicals, OYSI ensures appropriate packaging, handling, and delivery of this sensitive compound. Contact OYSI directly for pricing, availability, technical specifications, and delivery options to your location within Europe.

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4-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.