(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 significant pharmacological and research applications. This sophisticated organic compound, with molecular formula C30H40N2O5 and molecular weight 508.6 g/mol, belongs to the benzofuran class of heterocyclic compounds. The molecule features a nitro-substituted benzofuran core linked to a dibutylamino-containing phenyl group through a methanone bridge, creating a structure of considerable complexity and functional versatility. The compound's intricate architecture combines aromatic, aliphatic, and heteroatomic elements that contribute to its unique chemical and biological properties. From a safety perspective, this substance requires careful handling protocols due to its classification under multiple hazard categories. The compound presents as a flammable liquid (Class 3), exhibits acute toxicity (Category 4), and demonstrates potential for specific target organ toxicity following repeated exposure (Category 2). Additional concerns include skin and eye irritation potential, skin sensitization properties, and aquatic toxicity. The presence of multiple GHS pictograms (GHS02, GHS07, GHS08, GHS05, GHS09) and the "Danger" signal word emphasize the importance of appropriate safety measures during handling and storage. Industrial applications for this benzofuran derivative primarily focus on pharmaceutical research and development, where its complex structure serves as a valuable synthetic intermediate. The compound also finds use in advanced materials research and specialized chemical synthesis protocols. Unlike simpler compounds such as propylbenzene or 3-ethyl-3-methylpentane, this molecule's sophisticated functionality makes it particularly valuable for high-end applications requiring precise molecular design. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for European research and industrial customers requiring high-purity benzofuran derivatives.

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 CAS number 141645-23-0 and molecular formula C30H40N2O5. This benzofuran derivative has a molecular weight of 508.6 g/mol and contains multiple functional groups including a nitro group, a ketone, and a dibutylamino side chain. It is classified as a hazardous chemical requiring careful handling and safety precautions due to its various danger classifications.

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 an organic compound with a molecular weight of 508.6 g/mol and the molecular formula C30H40N2O5. As a complex benzofuran derivative with multiple aromatic rings and aliphatic chains, it likely exhibits limited water solubility but good solubility in organic solvents. The compound's physical state, exact melting point, and other specific properties would require detailed analytical characterization for precise determination.

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 research and pharmaceutical applications. Given its complex structure containing benzofuran and nitro functional groups, it may serve as an intermediate in organic synthesis or as a research compound in medicinal chemistry studies. Its specific applications would depend on its biological activity and chemical properties, requiring specialized knowledge for appropriate industrial or research use.

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 classification as Acute Tox. 4, Skin Irrit. 2, Eye Dam. 1, and Skin Sens. 1. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods, avoid skin and eye contact, and prevent inhalation. Follow proper hygiene practices and have emergency procedures readily available.

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 should be stored in a cool, dry, well-ventilated area away from heat sources and ignition sources due to its Flam. Liq. 3 classification. Use appropriate chemical storage containers, keep away from incompatible materials, and ensure proper labeling according to GHS requirements. Storage areas should have appropriate fire suppression systems and be accessible only to trained personnel with proper safety equipment.

What to do in case of contact with (2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone?

Immediate first aid for (2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone contact includes: for skin contact, remove contaminated clothing and rinse with plenty of water; for eye contact, flush immediately with water for at least 15 minutes and seek medical attention due to Eye Dam. 1 classification; if inhaled, move to fresh air; if ingested, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet and contact emergency services if necessary.

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 as hazardous waste through licensed waste management companies. Due to its multiple hazard classifications including flammability and toxicity, it cannot be disposed of in regular waste streams. Follow local and EU regulations for hazardous waste disposal, maintain proper documentation, and ensure the disposal company is certified to handle organic chemicals with similar hazard profiles.

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. Transportation requires appropriate packaging according to ADR regulations, proper dangerous goods documentation, and vehicle placarding. Drivers must hold valid ADR certification, and shipments must comply with tunnel restrictions and routing requirements. Use certified packaging and ensure proper labeling with GHS pictogrammes GHS02, GHS05, GHS07, GHS08, and GHS09.

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 REACH registration requirements and CLP classification regulations in the EU. While not currently listed as an SVHC (Substance of Very High Concern), it must be properly classified and labeled according to its hazard classifications. Companies handling this substance must ensure compliance with workplace safety regulations, transportation laws (ADR), and environmental protection requirements due to its Aquatic Acute toxicity classification.

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 chemical products. OYSI provides professional-grade chemicals with proper documentation, safety data sheets, and regulatory compliance support. As a specialized compound requiring expert handling, it's essential to work with experienced distributors who understand the regulatory requirements and can provide appropriate technical support for safe handling and transportation across European markets.

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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.