(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 pharmaceutical intermediate properties and specialized chemical functionality. This sophisticated organic compound represents a benzofuran-based chemical structure combined with oxalic acid, featuring a molecular formula of C32H44N2O7 and a molecular weight of 568.7 g/mol. The compound is characterized by its unique combination of an amino-substituted benzofuran core linked to a dibutylamino-propoxyphenyl ketone moiety, forming an oxalic acid salt. Its complex structure incorporates multiple functional groups including amino, ether, and ketone functionalities, which contribute to its distinctive chemical behavior and potential applications. The substance presents significant safety considerations, classified under multiple hazard categories including STOT RE 2, Eye Dam. 1, Skin Sens. 1, and aquatic toxicity classifications (Aquatic Acute 1; Aquatic Chronic 1). The "Danger" signal word and associated GHS pictograms (GHS08, GHS05, GHS07, GHS09) indicate the need for careful handling protocols and appropriate personal protective equipment during industrial processing and storage. Due to its specialized molecular architecture, this compound finds primary applications in pharmaceutical research and development, particularly as an advanced intermediate in synthetic chemistry pathways. It serves important functions in medicinal chemistry research and specialized organic synthesis processes. The compound shares structural complexity with other pharmaceutical intermediates such as benzene-1,4-diol derivatives and phenazinium-based compounds, reflecting its position within advanced pharmaceutical chemistry. OYSI maintains reliable supply chains for this specialized pharmaceutical intermediate, 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 has a molecular formula of C32H44N2O7 and a molecular weight of 568.7 g/mol. It contains a benzofuran ring system combined with an oxalic acid salt, featuring both amino and dibutylamino functional groups that contribute to its specific chemical properties and potential applications.

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

This compound has a molecular weight of 568.7 g/mol with the molecular formula C32H44N2O7. The presence of oxalic acid in the formulation suggests it exists as a salt form, which typically enhances stability and solubility compared to the free base. The benzofuran structure combined with the dibutylamino groups creates a relatively large, complex molecule with multiple polar and non-polar regions affecting its physical properties.

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 pharmaceutical research and chemical synthesis applications. The benzofuran core structure with amino substitutions makes it valuable as an intermediate in organic synthesis and drug development. Its specific molecular architecture suggests potential applications in medicinal chemistry research, particularly in developing compounds with biological activity. Industrial applications may include use as a specialty chemical in advanced material synthesis.

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 protective clothing due to its Eye Dam. 1 and Skin Sens. 1 classifications. Work in well-ventilated areas or under fume extraction to prevent inhalation exposure, considering its STOT RE 2 classification. Avoid skin and eye contact completely. Use proper handling techniques to prevent spills and ensure immediate access to eyewash stations and safety showers.

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

This substance should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and properly labeled according to GHS requirements. Storage areas must be equipped with appropriate containment measures due to its aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1). Ensure storage facilities comply with local regulations for hazardous materials and maintain temperature and humidity conditions suitable for chemical stability.

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

Immediate action is required due to the Eye Dam. 1 classification - flush eyes immediately with plenty of water for at least 15 minutes and seek immediate medical attention. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water due to Skin Sens. 1 properties. If inhaled, move to fresh air immediately. In all cases of exposure, seek medical advice and provide the safety data sheet to medical personnel.

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

Disposal must be conducted through licensed hazardous waste disposal facilities due to its multiple hazard classifications. The substance cannot be disposed of in regular waste streams because of its aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1). Follow local and national regulations for hazardous chemical waste disposal. Ensure proper documentation and use authorized waste disposal contractors who can handle chemicals with these specific hazard classifications safely and legally.

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

This substance is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transport purposes. It requires appropriate UN-specification packaging and proper dangerous goods documentation. Vehicles must carry appropriate emergency equipment and drivers need ADR training for Class 9 materials. Ensure packages are properly labeled with hazard markings and transport documents include all required information according to ADR regulations for miscellaneous dangerous substances.

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

This substance is regulated under the CLP Regulation due to its multiple hazard classifications (STOT RE 2, Eye Dam. 1, Skin Sens. 1, Aquatic toxicity). It requires proper classification, labeling, and packaging according to GHS standards with Danger signal word and specific pictogrammes (GHS08, GHS05, GHS07, GHS09). While not currently listed as SVHC under REACH, it must comply with standard registration and downstream user obligations depending on quantities handled.

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

OYSI is a European distributor specializing in technical chemicals and can supply this compound to qualified industrial and research customers. As a professional chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for hazardous materials like this substance. Contact OYSI directly to discuss availability, quantities, technical specifications, and delivery options for your specific application requirements while ensuring all safety and regulatory requirements are met.

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

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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.