5-(2-bromophenyl)-2-tert-butyltetrazole
C11H13BrN4
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Identification
- CAS Number
- 153042-18-3
- EC Number
- 420-820-6
- UN Number
- 1993
- Index Number
- 613-297-00-2
- PubChem CID
- 10333901
Physical-chemical properties
- Molecular Formula
- C11H13BrN4
- Molar Mass
- 281.15 g/mol
- IUPAC Name
- 5-(2-bromophenyl)-2-tert-butyltetrazole
Chemical Identifiers
- InChI
- InChI=1S/C11H13BrN4/c1-11(2,3)16-14-10(13-15-16)8-6-4-5-7-9(8)12/h4-7H,1-3H3
- InChI Key
- WGJUUNXZYPXXCS-UHFFFAOYSA-N
Overview
5-(2-bromophenyl)-2-tert-butyltetrazole (CAS 153042-18-3) is an organobromine tetrazole compound with specialized pharmaceutical and chemical synthesis applications. This brominated tetrazole derivative represents an important class of heterocyclic compounds widely utilized in pharmaceutical research and specialty chemical manufacturing. The molecule features a distinctive tetrazole ring system substituted with a 2-bromophenyl group and a tert-butyl moiety, conferring unique reactivity patterns that make it valuable for advanced organic synthesis applications. With its molecular formula C11H13BrN4 and molecular weight of 281.15 g/mol, this compound exhibits properties characteristic of both aromatic bromine compounds and nitrogen-rich heterocycles. From a safety perspective, 5-(2-bromophenyl)-2-tert-butyltetrazole is classified as a flammable liquid (Category 3) with acute toxicity concerns, requiring appropriate handling protocols including proper ventilation and personal protective equipment. The compound carries GHS pictograms for flammability, health hazards, and environmental concerns, reflecting its potential impact on aquatic systems. Like other brominated aromatics including bromobenzene, it requires careful storage away from ignition sources and incompatible materials. Key industrial applications include pharmaceutical intermediate synthesis, where the tetrazole moiety serves as a bioisostere for carboxylic acids in drug development, and specialized organic synthesis requiring selective bromination or tetrazole functionality. The compound also finds use in advanced materials research and agrochemical development, where its unique structural features enable specific molecular interactions. OYSI maintains reliable supply chains for 5-(2-bromophenyl)-2-tert-butyltetrazole, ensuring consistent availability for European chemical manufacturers and research institutions requiring this specialized pharmaceutical intermediate.
Safety & Classification
Flam. Liq. 3; Acute Tox. 4 *; Aquatic Chronic 2
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
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 | 5-(2-Bromphenyl)-2-tert-butyl-2H-tetrazol |
| Marine Pollutant | No |
Frequently Asked Questions
What is 5-(2-bromophenyl)-2-tert-butyltetrazole?
5-(2-bromophenyl)-2-tert-butyltetrazole is a synthetic organic compound with the molecular formula C11H13BrN4 and molecular weight of 281.15 g/mol. This tetrazole derivative contains a bromine-substituted phenyl ring and a tert-butyl group. It is classified as a flammable liquid with moderate acute toxicity and chronic aquatic hazard properties. The compound is identified by CAS number 153042-18-3 and requires careful handling due to its hazardous classification.
What are the physicochemical properties of 5-(2-bromophenyl)-2-tert-butyltetrazole?
5-(2-bromophenyl)-2-tert-butyltetrazole is an organic compound with a molecular weight of 281.15 g/mol and formula C11H13BrN4. The presence of the tetrazole ring, brominated aromatic system, and tert-butyl group influences its physical properties. As classified under Flam. Liq. 3, it exhibits flammable liquid characteristics. The compound's solubility and other specific physical properties depend on the interaction between its polar tetrazole ring and hydrophobic aromatic components.
What is 5-(2-bromophenyl)-2-tert-butyltetrazole used for?
5-(2-bromophenyl)-2-tert-butyltetrazole is primarily used as a synthetic intermediate in pharmaceutical and chemical research applications. Tetrazole compounds are valuable building blocks in medicinal chemistry, often serving as bioisosteres for carboxylic acids in drug development. The brominated phenyl group provides a handle for further chemical modifications through cross-coupling reactions. This compound may also find applications in materials science and as a precursor for more complex heterocyclic structures.
How to handle 5-(2-bromophenyl)-2-tert-butyltetrazole safely?
5-(2-bromophenyl)-2-tert-butyltetrazole requires careful handling due to its flammable and toxic properties. Use appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and lab coats. Work in well-ventilated areas or under fume hoods to avoid inhalation. Keep away from ignition sources, heat, and open flames. Use non-sparking tools and ensure proper grounding of equipment. Always have appropriate fire extinguishing media available and follow standard laboratory safety protocols for hazardous chemicals.
How to store 5-(2-bromophenyl)-2-tert-butyltetrazole properly?
5-(2-bromophenyl)-2-tert-butyltetrazole should be stored in a cool, dry, well-ventilated area away from heat sources and ignition sources. Use appropriate chemical storage cabinets designed for flammable materials. Keep containers tightly closed when not in use and protect from light and moisture. Store away from incompatible materials such as strong oxidizers, acids, and bases. Maintain storage temperatures according to supplier specifications and ensure proper labeling with hazard information and expiration dates.
What to do in case of contact with 5-(2-bromophenyl)-2-tert-butyltetrazole?
Immediate action is required in case of contact with 5-(2-bromophenyl)-2-tert-butyltetrazole. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures.
How to dispose of 5-(2-bromophenyl)-2-tert-butyltetrazole appropriately?
5-(2-bromophenyl)-2-tert-butyltetrazole must be disposed of according to local, national, and international waste regulations. This compound cannot be disposed of in regular waste due to its hazardous classification. Contact licensed waste disposal companies specializing in chemical waste management. Ensure proper waste classification considering its flammable, toxic, and aquatic hazard properties. Maintain disposal records and follow packaging requirements for hazardous waste transport. Never dispose of this material down drains or into the environment.
How to transport 5-(2-bromophenyl)-2-tert-butyltetrazole?
5-(2-bromophenyl)-2-tert-butyltetrazole is classified under ADR Class 3, Packing Group III for transport purposes. This classification indicates it is a flammable liquid with relatively low danger. Use appropriate UN-specification packaging and ensure proper labeling with hazard diamonds and shipping information. Transport vehicles must comply with ADR requirements for Class 3 substances. Drivers need appropriate training certificates, and transport documents must accompany shipments. Follow temperature control requirements and emergency response procedures during transport.
Is 5-(2-bromophenyl)-2-tert-butyltetrazole subject to specific regulations?
5-(2-bromophenyl)-2-tert-butyltetrazole is subject to various chemical regulations including REACH registration requirements in Europe and CLP classification obligations. The compound is not identified as a Substance of Very High Concern (SVHC). It must be handled according to occupational health and safety regulations due to its hazard classification. Environmental regulations apply due to its aquatic chronic hazard classification. Companies must maintain safety data sheets, implement risk management measures, and comply with worker protection standards.
Where to buy 5-(2-bromophenyl)-2-tert-butyltetrazole in Europe?
5-(2-bromophenyl)-2-tert-butyltetrazole is available through OYSI, a trusted European distributor of specialty chemicals. OYSI provides high-quality chemical products with proper documentation including certificates of analysis and safety data sheets. As a professional chemical distributor, OYSI ensures compliance with European regulations and offers reliable supply chain solutions. Contact OYSI directly for availability, specifications, and pricing information. Professional customers can benefit from technical support and regulatory guidance for their specific applications.
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5-(2-bromophenyl)-2-tert-butyltetrazole 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.