3-hydroxy-N-(2-methoxyphenyl)-2-[[4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]diazenyl]but-2-enamide acetate

C27H28N4O5

CAS121315-16-0
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
121315-16-0
EC Number
405-860-4
UN Number
3077
Index Number
613-142-00-9
PubChem CID
171041362

Physical-chemical properties

Molecular Formula
C27H28N4O5
Molar Mass
488.50 g/mol
IUPAC Name
3-hydroxy-N-(2-methoxyphenyl)-2-[[4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]diazenyl]but-2-enamide acetate

Chemical Identifiers

InChI
InChI=1S/C25H24N4O3.C2H4O2/c1-18(30)24(25(31)26-22-9-4-5-10-23(22)32-3)28-27-20-14-11-19(12-15-20)13-16-21-8-6-7-17-29(21)2;1-2(3)4/h4-17H,1-3H3,(H,26,31);1H3,(H,3,4)
InChI Key
PWDWPZQNYUQNBW-UHFFFAOYSA-N

Overview

3-hydroxy-N-(2-methoxyphenyl)-2-[[4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]diazenyl]but-2-enamide acetate (CAS 121315-16-0) is a complex organic azo compound with diazenyl linkage and pyridinium functionality. This specialized chemical compound represents an advanced synthetic organic molecule featuring multiple functional groups including hydroxyl, methoxy, diazenyl, and pyridinium moieties within its molecular structure. With a molecular formula of C27H28N4O5 and molecular weight of 488.5 g/mol, this substance exhibits the characteristic properties of azo compounds, which are widely recognized for their diverse industrial applications, particularly in coloration and specialized chemical processes. The compound's complex structure, incorporating both aromatic and heterocyclic components, places it in a category of sophisticated organic intermediates that require careful handling and specialized knowledge for proper application. The presence of the diazenyl bridge (-N=N-) is particularly significant, as this functional group is fundamental to many azo-based industrial processes. This structural feature distinguishes it from simpler aromatic compounds such as 2-phenylsulfanylaniline, while sharing some functional similarities with other substituted aromatic amides like 2,4-dihydroxy-N-(2-methoxyphenyl)benzamide in terms of aromatic substitution patterns. From a safety perspective, this substance is classified with Warning signal word under GHS pictograms GHS07 and GHS09, indicating skin sensitization potential (Skin Sens. 1) and aquatic chronic toxicity (Aquatic Chronic 2). These classifications necessitate appropriate personal protective equipment and environmental precautions during handling and storage. The ADR Class 9 designation requires compliance with specific transportation regulations for miscellaneous dangerous goods. Industrial applications typically include specialized organic synthesis, research and development processes, and potentially as an intermediate in pharmaceutical or advanced material manufacturing. The compound's unique structural features make it valuable for applications requiring specific molecular interactions or as a building block in complex synthetic pathways. OYSI maintains availability of this specialized compound for qualified industrial customers requiring high-purity organic intermediates.

Safety & Classification

Warning
Classification:

Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H317

May cause an allergic skin reaction.

H411

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:

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 Nametrans-N-Methyl-2-styryl-[4'-(aminomethin-(1-acetyl-1(2-methoxyphenyl)acetamido)]-pyridiniumacetat)
Marine PollutantNo

Frequently Asked Questions

What is 3-hydroxy-N-(2-methoxyphenyl)-2-[[4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]diazenyl]but-2-enamide acetate?

3-hydroxy-N-(2-methoxyphenyl)-2-[[4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]diazenyl]but-2-enamide acetate is an organic chemical compound with CAS number 121315-16-0 and molecular formula C27H28N4O5. This complex molecule has a molecular weight of 488.5 g/mol and contains multiple functional groups including hydroxyl, methoxy, diazenyl, and acetate moieties. The compound is classified as a skin sensitizer and poses chronic aquatic toxicity risks, requiring careful handling in industrial applications.

What are the physicochemical properties of 3-hydroxy-N-(2-methoxyphenyl)-2-[[4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]diazenyl]but-2-enamide acetate?

The compound exhibits a molecular weight of 488.5 g/mol with the molecular formula C27H28N4O5. As an organic compound containing aromatic rings, azo linkages, and polar functional groups, it likely presents as a colored solid due to the extended conjugated system including the diazenyl group. The presence of both hydrophilic (hydroxyl, acetate) and hydrophobic (aromatic) regions suggests moderate solubility in polar solvents. Specific physical parameters like melting point and exact solubility data would require laboratory analysis.

What is 3-hydroxy-N-(2-methoxyphenyl)-2-[[4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]diazenyl]but-2-enamide acetate used for?

The compound is primarily used in specialized industrial applications requiring its unique chemical structure. Given its complex aromatic system with azo linkages and pyridinium functionality, it likely serves in advanced chemical synthesis, pharmaceutical intermediates, or specialized materials applications. The specific diazenyl group suggests potential use in dye chemistry or as a chromogenic reagent. However, its skin sensitizing properties limit its use to controlled industrial environments with appropriate safety measures.

How to handle 3-hydroxy-N-(2-methoxyphenyl)-2-[[4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]diazenyl]but-2-enamide acetate safely?

Safe handling requires strict skin contact prevention due to the compound's Skin Sens. 1 classification. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing covering all exposed skin. Work should be conducted in well-ventilated areas or under fume extraction systems. Avoid generating dust or aerosols, and ensure emergency eyewash and shower facilities are readily accessible. All personnel must be trained on sensitization risks and proper decontamination procedures before handling this material.

How to store 3-hydroxy-N-(2-methoxyphenyl)-2-[[4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]diazenyl]but-2-enamide acetate correctly?

The compound should be stored in tightly sealed, labeled containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Given its aquatic chronic toxicity classification, storage areas must be designed to prevent environmental release through appropriate secondary containment. Keep away from incompatible materials such as strong oxidizers and reducing agents. Storage facilities should be equipped with spill containment measures and restrict access to trained personnel only.

What to do in case of contact with 3-hydroxy-N-(2-methoxyphenyl)-2-[[4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]diazenyl]but-2-enamide acetate?

Immediate skin contact requires thorough washing with soap and water for at least 15 minutes while removing contaminated clothing. For eye contact, flush immediately with clean water for 15-20 minutes and seek medical attention. If inhaled, move the person to fresh air and monitor for respiratory distress. Due to the skin sensitization potential, any exposure should be documented and medical evaluation considered. Do not use solvents or harsh chemicals for decontamination as they may increase absorption.

How to dispose of 3-hydroxy-N-(2-methoxyphenyl)-2-[[4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]diazenyl]but-2-enamide acetate appropriately?

Disposal must be conducted through licensed hazardous waste contractors due to the compound's skin sensitization and aquatic toxicity properties. The material cannot be discharged to sewers or waterways given its Aquatic Chronic 2 classification. Incineration at authorized high-temperature facilities is typically the preferred disposal method for organic compounds of this complexity. All disposal activities must comply with local and EU waste regulations, and waste manifests should properly identify the material using its CAS number 121315-16-0.

How to transport 3-hydroxy-N-(2-methoxyphenyl)-2-[[4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]diazenyl]but-2-enamide acetate?

The compound is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation purposes. This requires appropriate UN-specification packaging, proper hazard labeling, and transport documentation including safety data sheets. Vehicles must carry appropriate emergency equipment and drivers need ADR training certification. The relatively low-hazard Packing Group III classification allows for standard industrial chemical transport procedures, but environmental protection measures must be in place due to aquatic toxicity concerns.

Is 3-hydroxy-N-(2-methoxyphenyl)-2-[[4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]diazenyl]but-2-enamide acetate subject to specific regulations?

The compound is subject to EU CLP regulation requiring hazard classification as Skin Sens. 1 and Aquatic Chronic 2, with mandatory Warning signal word and GHS07/GHS09 pictograms on labels and safety data sheets. REACH registration requirements apply for manufacturers and importers above tonnage thresholds. The substance is not currently listed as SVHC (Substance of Very High Concern). Workplace exposure limits and occupational health surveillance may be required due to skin sensitization properties.

Where to buy 3-hydroxy-N-(2-methoxyphenyl)-2-[[4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]diazenyl]but-2-enamide acetate in Europe?

OYSI serves as a reliable European distributor for 3-hydroxy-N-(2-methoxyphenyl)-2-[[4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]diazenyl]but-2-enamide acetate, providing quality chemical products with proper documentation and regulatory compliance. As specialized chemical distributors, OYSI ensures appropriate packaging, labeling, and safety data sheet provision according to EU regulations. Contact OYSI directly for availability, quantities, and technical specifications. All shipments include proper ADR Class 9 transportation classification and environmental protection measures due to the compound's aquatic toxicity profile.

Services for 3-hydroxy-N-(2-methoxyphenyl)-2-[[4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]diazenyl]but-2-enamide acetate

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3-hydroxy-N-(2-methoxyphenyl)-2-[[4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]diazenyl]but-2-enamide acetate 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.