(2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone
C30H40N2O5
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Identification
- CAS Number
- 141645-23-0
- EC Number
- 444-800-1
- UN Number
- 1993
- Index Number
- 606-138-00-3
- PubChem CID
- 10209258
Physical-chemical properties
- Molecular Formula
- C30H40N2O5
- Molar Mass
- 508.60 g/mol
- IUPAC Name
- (2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone
Chemical Identifiers
- InChI
- InChI=1S/C30H40N2O5/c1-4-7-11-28-29(26-22-24(32(34)35)14-17-27(26)37-28)30(33)23-12-15-25(16-13-23)36-21-10-20-31(18-8-5-2)19-9-6-3/h12-17,22H,4-11,18-21H2,1-3H3
- InChI Key
- YIYARJKYRBMMJG-UHFFFAOYSA-N
Overview
(2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone (CAS 141645-23-0) is a complex benzofuran derivative with pharmaceutical intermediate properties and significant safety considerations. This specialized organic compound, with molecular formula C30H40N2O5 and molecular weight 508.6 g/mol, represents a sophisticated benzofuran-based structure incorporating both nitro and dibutylamino functional groups. The molecule features a distinctive architecture combining a nitro-substituted benzofuran core with an extended phenyl ketone moiety linked through a dibutylaminopropoxy chain. This structural complexity positions it within the category of advanced pharmaceutical intermediates and specialty chemical compounds used in drug discovery and development processes. The compound presents significant safety challenges, classified under multiple hazard categories including flammable liquid (Class 3), acute toxicity, skin and eye irritation, and aquatic toxicity. The GHS pictograms GHS02, GHS07, GHS08, GHS05, and GHS09 indicate requirements for flame, health hazard, serious health hazard, corrosion, and environmental protection measures respectively. The "Danger" signal word emphasizes the need for stringent handling protocols and appropriate personal protective equipment during storage, transport, and processing operations. Primary industrial applications include pharmaceutical research and development, where it serves as a building block for drug synthesis, specialty chemical manufacturing for advanced materials, and analytical chemistry as a reference standard. Its structural similarity to other organic compounds like propylbenzene makes it valuable in comparative studies and synthetic pathway optimization. The compound's unique benzofuran framework offers potential applications in medicinal chemistry research focusing on cardiovascular and neurological therapeutic targets. OYSI provides this high-purity specialty chemical to pharmaceutical manufacturers and research institutions across Europe, ensuring compliance with all relevant safety and transportation regulations.
Safety & Classification
Flam. Liq. 3; Acute Tox. 4 *; STOT RE 2 *; Skin Irrit. 2; Eye Dam. 1; Skin Sens. 1; Aquatic Acute...
GHS Pictograms
Flame
GHS02
Flammable. May ignite on contact with air, water, or heat sources.
Exclamation Mark
GHS07
Harmful. May cause irritation, allergic reactions, or drowsiness.
Health Hazard
GHS08
Serious health hazard. May cause cancer, organ damage, or genetic defects.
Corrosion
GHS05
Corrosive. Causes severe skin burns and eye damage.
Environment
GHS09
Environmental hazard. Toxic to aquatic life with long lasting effects.
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Flammable liquid and vapour.
Harmful if swallowed.
May cause damage to organs through prolonged or repeated exposure.
Causes skin irritation.
Causes serious eye damage.
May cause an allergic skin reaction.
Very toxic to aquatic life.
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
Skin Contact
Measures if substance contacts the skin
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +P313Get medical advice/attention.
Related hazard statements:
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 | (2-Butyl-5-nitrobenzofuran-3-yl)(4-(3-dibutylaminopropoxy)phenyl)methanon |
| Marine Pollutant | No |
Frequently Asked Questions
What is (2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone?
(2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone is a complex organic compound with the molecular formula C30H40N2O5 and CAS number 141645-23-0. This benzofuran derivative has a molecular weight of 508.6 g/mol and features a nitro-substituted benzofuran ring system connected to a phenyl ketone moiety through a dibutylamino propoxy linkage. The compound is classified as hazardous due to its flammable, toxic, and sensitizing properties.
What are the physicochemical properties of (2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone?
(2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone is a flammable liquid with specific physicochemical characteristics determined by its molecular structure. The compound exhibits flammable properties classified under Flam. Liq. 3, indicating a flash point between 23-60°C. Its complex aromatic structure with both hydrophobic alkyl chains and polar functional groups influences its solubility profile. The presence of nitro and carbonyl groups affects its stability and reactivity under various conditions.
What is (2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone used for?
(2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone is primarily used in specialized chemical synthesis and pharmaceutical research applications. Its benzofuran structure makes it valuable as an intermediate in organic synthesis for developing bioactive compounds. The compound may serve as a building block in medicinal chemistry for creating pharmaceutical derivatives or as a research chemical in academic and industrial laboratories studying benzofuran chemistry and related therapeutic applications.
How to handle (2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone safely?
(2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone requires careful handling due to its Danger signal word and multiple hazard classifications. Essential PPE includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work in well-ventilated areas or under fume hoods to avoid inhalation. Keep away from ignition sources due to its flammable nature. Avoid skin contact as it may cause irritation and sensitization. Use appropriate containment measures to prevent environmental release.
How to store (2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone correctly?
(2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone must be stored in a cool, dry, well-ventilated area away from ignition sources and incompatible materials. Use appropriate flammable liquid storage cabinets and maintain temperatures below the flash point. Keep containers tightly sealed to prevent contamination and evaporation. Store away from oxidizing agents and strong bases that may react with the compound. Implement proper secondary containment to prevent environmental contamination and ensure compliance with local fire safety regulations.
What to do in case of contact with (2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone?
Immediate action is required upon contact with (2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone due to its irritating and sensitizing properties. For skin contact, immediately remove contaminated clothing and flush affected area with plenty of water for at least 15 minutes. For eye contact, rinse immediately with water for at least 15 minutes and seek medical attention due to potential severe eye damage. If inhaled, move to fresh air. Seek immediate medical attention for all exposure routes and provide safety data sheet to medical personnel.
How to dispose of (2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone appropriately?
(2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone must be disposed of through licensed hazardous waste disposal facilities in compliance with local and European waste regulations. The compound cannot be disposed of in regular waste streams due to its multiple hazard classifications including flammability, toxicity, and environmental hazards. Contact certified waste management companies specializing in chemical waste disposal. Ensure proper waste characterization and documentation according to European Waste Catalogue codes and relevant national legislation.
How to transport (2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone?
(2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone is classified under ADR Class 3 (flammable liquids), Packing Group III for transportation. This classification requires appropriate UN specification packaging, proper labeling with Class 3 hazard labels, and transport documentation including dangerous goods declarations. Vehicles must comply with ADR requirements for flammable liquid transport, including appropriate equipment and driver certification. Ensure proper segregation from incompatible materials and follow quantity limitations for different transport categories.
Is (2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone subject to specific regulations?
(2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone is subject to European chemical regulations including REACH and CLP classifications. The compound is not identified as a Substance of Very High Concern (SVHC), but must comply with standard registration, evaluation, and authorization requirements under REACH. CLP classification requires appropriate hazard labeling with GHS pictograms GHS02, GHS05, GHS07, GHS08, and GHS09. Users must follow occupational exposure limits and safety requirements according to national implementations of European chemical legislation.
Where to buy (2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone in Europe?
(2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone is available through OYSI, a specialized European distributor of technical chemical products. OYSI provides this compound to qualified industrial and research customers across Europe, ensuring compliance with REACH regulations and proper documentation. As a professional chemical distributor, OYSI offers technical support, safety data sheets, and regulatory guidance for proper handling and use. Contact OYSI directly for availability, technical specifications, and regulatory compliance information for your specific application requirements.
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(2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone 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.