4-[2-(4-tert-butylphenyl)ethoxy]quinazoline

C20H22N2O

CAS120928-09-8
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
120928-09-8
EC Number
410-580-0
UN Number
3345
Index Number
613-159-00-1
PubChem CID
86356

Physical-chemical properties

Molecular Formula
C20H22N2O
Molar Mass
306.40 g/mol
IUPAC Name
4-[2-(4-tert-butylphenyl)ethoxy]quinazoline

Chemical Identifiers

InChI
InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3
InChI Key
DMYHGDXADUDKCQ-UHFFFAOYSA-N

Overview

4-[2-(4-tert-butylphenyl)ethoxy]quinazoline (CAS 120928-09-8) is a quinazoline derivative compound featuring an ethoxy linker and tert-butylphenyl substituent with notable bioactive properties. This specialized quinazoline compound represents an important class of heterocyclic organic molecules widely recognized for their pharmaceutical and research applications. The molecular structure combines a quinazoline core with a 4-tert-butylphenyl group connected through an ethoxy bridge, resulting in a molecular formula of C20H22N2O and molecular weight of 306.4 g/mol. The presence of the tert-butyl group enhances the compound's lipophilicity and metabolic stability, while the quinazoline scaffold provides excellent binding affinity for various biological targets. From a safety perspective, this compound requires careful handling due to its classification under multiple hazard categories. It presents acute toxicity risks (Acute Tox. 3 and 4) and significant environmental concerns with aquatic toxicity classifications (Aquatic Acute 1, Aquatic Chronic 1). The compound displays GHS06 and GHS09 pictograms with a "Danger" signal word, and falls under ADR Class 6.1 for transportation purposes, indicating its toxic nature requires specialized handling protocols. Primary industrial applications include pharmaceutical intermediate synthesis, particularly in the development of kinase inhibitors and other bioactive compounds. The compound also serves as a valuable research tool in medicinal chemistry and drug discovery programs. Unlike simpler organophosphorus compounds such as diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane, this quinazoline derivative offers unique structural features that make it particularly suitable for selective biological targeting applications. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for pharmaceutical and research applications across European markets.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; Acute Tox. 3 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H332

Harmful if inhaled.

H301

Toxic if swallowed.

H400

Very toxic to aquatic life.

H410

Very 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

Inhalation

Harmful

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:

Ingestion

Toxic

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 Number3345
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameFenazaquin (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 4-[2-(4-tert-butylphenyl)ethoxy]quinazoline?

4-[2-(4-tert-butylphenyl)ethoxy]quinazoline is a synthetic organic compound with the molecular formula C20H22N2O and a molecular weight of 306.4 g/mol. This quinazoline derivative features a tert-butylphenyl group connected via an ethoxy linker to the quinazoline core structure. It is classified as a hazardous substance with acute toxicity properties and environmental concerns. The compound is identified by CAS number 120928-09-8 and requires careful handling due to its toxic nature.

What are the physicochemical properties of 4-[2-(4-tert-butylphenyl)ethoxy]quinazoline?

4-[2-(4-tert-butylphenyl)ethoxy]quinazoline is an organic solid compound with a molecular weight of 306.4 g/mol and formula C20H22N2O. The compound contains aromatic quinazoline and phenyl ring systems connected by an ethoxy bridge, conferring specific solubility characteristics. Due to its aromatic nature and molecular structure, it likely exhibits limited water solubility but good solubility in organic solvents. Specific physical properties such as melting point, boiling point, and exact appearance require experimental determination.

What is 4-[2-(4-tert-butylphenyl)ethoxy]quinazoline used for?

4-[2-(4-tert-butylphenyl)ethoxy]quinazoline is primarily used as a research chemical and pharmaceutical intermediate in specialized applications. The quinazoline scaffold is commonly found in bioactive molecules and pharmaceutical compounds, suggesting potential use in drug discovery and medicinal chemistry research. Its specific applications may include synthesis of more complex molecules, biological activity studies, or as a building block in pharmaceutical development. Industrial uses are typically limited to specialized chemical manufacturing and research institutions.

How to handle 4-[2-(4-tert-butylphenyl)ethoxy]quinazoline safely?

4-[2-(4-tert-butylphenyl)ethoxy]quinazoline requires careful handling due to its Acute Tox. 4 and Acute Tox. 3 classifications with GHS06 pictogram indicating danger. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and laboratory coat. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid direct skin and eye contact, and never eat, drink, or smoke while handling. Wash hands thoroughly after use and ensure proper training before handling this toxic substance.

How to store 4-[2-(4-tert-butylphenyl)ethoxy]quinazoline properly?

4-[2-(4-tert-butylphenyl)ethoxy]quinazoline should be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly closed and properly labeled with hazard information including GHS06 and GHS09 pictograms. Store separately from food, beverages, and feed materials. Due to its toxic and environmentally hazardous nature, implement appropriate containment measures to prevent accidental release. Access should be restricted to trained personnel, and storage areas should comply with local chemical storage regulations.

What to do in case of contact with 4-[2-(4-tert-butylphenyl)ethoxy]quinazoline?

Immediate action is required due to the acute toxicity of 4-[2-(4-tert-butylphenyl)ethoxy]quinazoline. For skin contact: remove contaminated clothing and wash affected area with plenty of water for at least 15 minutes. Eye contact: rinse immediately with water for 15 minutes, holding eyelids open. Inhalation: move to fresh air immediately. Ingestion: do not induce vomiting, rinse mouth with water. Seek medical attention immediately in all cases and provide the safety data sheet to medical personnel for proper treatment guidance.

How to dispose of 4-[2-(4-tert-butylphenyl)ethoxy]quinazoline properly?

4-[2-(4-tert-butylphenyl)ethoxy]quinazoline must be disposed of as hazardous waste due to its toxic and environmentally hazardous classification (Aquatic Acute 1, Aquatic Chronic 1). Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never discharge into sewers, waterways, or soil due to severe environmental impact. Small laboratory quantities should be collected in appropriate containers and labeled for hazardous waste pickup. Follow local, national, and European waste disposal regulations, including proper documentation and manifesting procedures.

How to transport 4-[2-(4-tert-butylphenyl)ethoxy]quinazoline?

4-[2-(4-tert-butylphenyl)ethoxy]quinazoline is classified under ADR Class 6.1 (Toxic substances) Packing Group III, requiring compliance with dangerous goods transportation regulations. Use appropriate UN-specification packaging designed for Class 6.1 materials. Packages must display proper hazard labels, UN identification numbers, and shipping documentation. Transportation should be handled by trained personnel familiar with dangerous goods regulations. Ensure vehicles are properly placarded and equipped with appropriate emergency response information. Follow European ADR regulations for road transport and corresponding modal regulations for other transport methods.

Is 4-[2-(4-tert-butylphenyl)ethoxy]quinazoline subject to specific regulations?

4-[2-(4-tert-butylphenyl)ethoxy]quinazoline is subject to multiple European chemical regulations including REACH registration requirements and CLP hazard classification and labeling. It is not currently listed as a Substance of Very High Concern (SVHC). The substance requires hazard communication through safety data sheets, proper labeling with GHS pictograms (GHS06, GHS09), and the danger signal word. Companies must comply with occupational exposure limits, environmental protection measures, and transportation regulations under ADR Class 6.1 classification.

Where to buy 4-[2-(4-tert-butylphenyl)ethoxy]quinazoline in Europe?

4-[2-(4-tert-butylphenyl)ethoxy]quinazoline is available through OYSI, a specialized European distributor of technical chemicals serving the research and industrial markets. OYSI provides this compound with proper regulatory compliance, including safety data sheets, hazard labeling, and appropriate packaging for safe handling and transport. As a professional chemical distributor, OYSI ensures product quality and regulatory compliance with European chemical legislation. Contact OYSI directly for availability, technical specifications, and ordering information for this specialized quinazoline derivative compound.

Data Sources

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