(5-amino-2-butyl-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone;oxalic acid

C32H44N2O7

CAS500791-70-8
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
500791-70-8
EC Number
448-700-9
UN Number
3077
Index Number
607-670-00-9
PubChem CID
53445342

Physical-chemical properties

Molecular Formula
C32H44N2O7
Molar Mass
568.70 g/mol
IUPAC Name
(5-amino-2-butyl-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone;oxalic acid

Chemical Identifiers

InChI
InChI=1S/C30H42N2O3.C2H2O4/c1-4-7-11-28-29(26-22-24(31)14-17-27(26)35-28)30(33)23-12-15-25(16-13-23)34-21-10-20-32(18-8-5-2)19-9-6-3;3-1(4)2(5)6/h12-17,22H,4-11,18-21,31H2,1-3H3;(H,3,4)(H,5,6)
InChI Key
VJVFIQVIPOMHOP-UHFFFAOYSA-N

Overview

(5-amino-2-butyl-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone;oxalic acid (CAS 500791-70-8) is a complex benzofuran derivative with oxalic acid salt formation providing enhanced stability and pharmaceutical applications. This sophisticated organic compound represents a benzofuran-based molecule featuring multiple functional groups including amino, butyl, and dibutylamino substituents combined with an oxalic acid component. With a molecular formula of C32H44N2O7 and molecular weight of 568.7 g/mol, this substance demonstrates the structural complexity typical of advanced pharmaceutical intermediates and specialized chemical compounds. The benzofuran core structure provides excellent pharmacological properties, while the oxalic acid salt formation enhances solubility and stability characteristics. The compound exhibits significant safety considerations requiring careful handling protocols. Classified under multiple hazard categories including STOT RE 2, Eye Dam. 1, Skin Sens. 1, and aquatic toxicity classifications, it demands appropriate personal protective equipment and containment measures during processing. The ADR Class 9 classification indicates miscellaneous dangerous substance status for transportation purposes, while the presence of GHS pictograms GHS08, GHS05, GHS07, and GHS09 emphasizes the need for comprehensive risk management strategies. Primary industrial applications include pharmaceutical research and development, where this benzofuran derivative serves as a crucial intermediate in drug synthesis pathways. Advanced chemical manufacturing processes utilize this compound for specialized organic synthesis reactions, particularly in developing complex therapeutic agents. The compound shares certain structural characteristics with related substances such as 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;hydrochloride, indicating potential applications in similar pharmaceutical development areas. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for European industrial and research applications.

Safety & Classification

Danger
Classification:

STOT RE 2 *; Eye Dam. 1; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H373

May cause damage to organs through prolonged or repeated exposure.

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:

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameDibutyl-3-(4-(5-ammonio-2-butyl)benzofuran-3-yl)carbonyl)phenoxy)propylammoniumoxalat (1:1-2)
Marine PollutantNo

Frequently Asked Questions

What is (5-amino-2-butyl-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone;oxalic acid?

(5-amino-2-butyl-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone;oxalic acid is a complex organic compound with CAS number 500791-70-8. This substance features a benzofuran core structure combined with an oxalic acid component, resulting in a molecular formula of C32H44N2O7 and a molecular weight of 568.7 g/mol. It is classified as a hazardous chemical requiring special handling precautions due to its potential health and environmental impacts.

What are the physicochemical properties of (5-amino-2-butyl-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone;oxalic acid?

This compound is a solid organic substance with a complex molecular structure containing both lipophilic and hydrophilic components. The presence of the oxalic acid moiety suggests potential water solubility, while the benzofuran and dibutylamino groups contribute to its organic character. Specific physical properties such as melting point, color, and odor would require analytical testing. The molecular weight of 568.7 g/mol indicates a relatively large, complex molecule with multiple functional groups affecting its behavior.

What is (5-amino-2-butyl-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone;oxalic acid used for?

This compound is primarily used in specialized chemical research and pharmaceutical applications due to its complex benzofuran structure. Its specific molecular architecture makes it valuable for advanced chemical synthesis, medicinal chemistry research, and potentially as an intermediate in pharmaceutical manufacturing. The compound's unique structural features, including the amino group and dibutylamino substituent, suggest applications in drug discovery and development processes requiring precise molecular interactions.

How to handle (5-amino-2-butyl-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone;oxalic acid safely?

Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection due to its Eye Dam. 1 and Skin Sens. 1 classifications. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact completely, and ensure emergency eyewash stations are accessible. The STOT RE 2 classification indicates potential organ damage from repeated exposure, making strict adherence to safety protocols essential.

How to store (5-amino-2-butyl-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone;oxalic acid correctly?

Storage requires a cool, dry, well-ventilated area away from incompatible materials and ignition sources. Keep containers tightly sealed to prevent contamination and moisture absorption. Due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications, storage areas must have appropriate containment measures to prevent environmental release. Store separately from strong oxidizers, acids, and bases. Regular inspection of storage containers is recommended to ensure integrity and prevent leakage.

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

Eye contact requires immediate irrigation with clean water for at least 15 minutes due to the Eye Dam. 1 classification, followed by urgent medical attention. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water, especially given the Skin Sens. 1 classification. If inhaled, move the person to fresh air immediately. In all cases, seek medical advice promptly and provide the safety data sheet to medical personnel for proper treatment guidance.

How to dispose of (5-amino-2-butyl-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone;oxalic acid properly?

Disposal must comply with local, national, and international regulations for hazardous chemical waste due to its multiple hazard classifications. Contact licensed waste disposal companies experienced in handling organic chemicals with aquatic toxicity concerns. Do not discharge to drains, waterways, or soil given its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Incineration at approved facilities may be suitable, but requires professional assessment. Maintain disposal records as required by environmental regulations.

How to transport (5-amino-2-butyl-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone;oxalic acid?

Transportation falls under ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III, indicating moderate hazard level during transport. Packages must be properly labeled with appropriate hazard markings and accompanied by transport documentation. Use approved packaging materials and ensure containers are secure and leak-proof. Drivers must be trained in hazardous materials transport, and emergency response information should accompany shipments. Comply with quantity limitations and routing restrictions as specified in ADR regulations.

Is (5-amino-2-butyl-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone;oxalic acid subject to special regulations?

This substance is subject to REACH regulation requiring registration for manufacture or import above specified tonnages in the EU. CLP regulation mandates proper classification, labeling, and packaging with GHS pictograms GHS05, GHS07, GHS08, and GHS09, plus 'Danger' signal word. While not currently identified as an SVHC, its hazard profile requires compliance with occupational exposure limits and environmental protection measures. Users must maintain safety data sheets and implement appropriate risk management measures.

Where to buy (5-amino-2-butyl-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone;oxalic acid in Europe?

OYSI serves as a reliable European distributor for this specialized chemical compound, offering professional-grade materials to qualified industrial and research customers. As an established chemical distributor, OYSI ensures proper documentation, regulatory compliance, and appropriate packaging for safe delivery across Europe. Contact OYSI directly to discuss availability, specifications, and technical requirements for your specific application. Professional customers benefit from technical support and regulatory guidance for proper handling and use.

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(5-amino-2-butyl-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone;oxalic acid 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.