(2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone

C30H40N2O5

CAS141645-23-0
GHS02 Gefahrensymbol: Entzündbar – Flamme
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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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

Danger
Classification:

Flam. Liq. 3; Acute Tox. 4 *; STOT RE 2 *; Skin Irrit. 2; Eye Dam. 1; Skin Sens. 1; Aquatic Acute...

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H226

Flammable liquid and vapour.

H302

Harmful if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

H315

Causes skin irritation.

H318

Causes serious eye damage.

H317

May cause an allergic skin reaction.

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

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:

Eye Contact

Harmful

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

Harmful

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 Number1993
ADR Class3
Packing GroupIII
Tunnel CodeD/E
Proper Shipping Name(2-Butyl-5-nitrobenzofuran-3-yl)(4-(3-dibutylaminopropoxy)phenyl)methanon
Marine PollutantNo

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.

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Data Sources

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