2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide

C17H16N2O6S

CAS73581-79-0
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
73581-79-0
EC Number
277-543-7
UN Number
3077
Index Number
607-619-00-0
PubChem CID
12051328

Physical-chemical properties

Molecular Formula
C17H16N2O6S
Molar Mass
376.40 g/mol
IUPAC Name
2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide

Chemical Identifiers

InChI
InChI=1S/C11H10O5S.C6H6N2O/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;7-6(9)5-2-1-3-8-4-5/h2-5H,6H2,1H3,(H,14,15,16);1-4H,(H2,7,9)
InChI Key
DRDSBZXTAXDLDZ-UHFFFAOYSA-N

Overview

2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide (CAS 73581-79-0) is an organic compound combining naphthoquinone and nicotinamide moieties with moderate irritant properties. This complex organic molecule with molecular formula C17H16N2O6S represents an interesting hybrid structure featuring both a substituted naphthoquinone core and a pyridine carboxamide group. The compound's unique architecture, combining aromatic sulfonated quinone functionality with a nicotinamide derivative, makes it valuable for specialized industrial applications requiring both electron-accepting quinone properties and coordinating nitrogen functionalities. From a safety perspective, this substance exhibits moderate hazard characteristics, classified as a skin and eye irritant (categories 2) with significant aquatic toxicity. The GHS07 and GHS09 pictograms indicate the need for appropriate personal protective equipment during handling and stringent environmental precautions. Its ADR Class 9 classification requires specific transport considerations as a miscellaneous dangerous substance. The molecular weight of 376.4 g/mol and sulfonic acid functionality suggest good water solubility, which correlates with its aquatic toxicity profile. Industrial applications typically leverage the compound's dual aromatic systems and functional group diversity. Primary uses include specialized organic synthesis as an intermediate, particularly in pharmaceutical research where both quinone and nicotinamide pharmacophores are valuable. The substance also finds application in advanced materials chemistry and as a specialized reagent in analytical chemistry, somewhat similar to how compounds like triphenyl phosphite serve in organometallic applications, though with distinctly different reactivity profiles. OYSI maintains reliable European supply chains for this specialized compound, ensuring consistent availability for industrial customers requiring high-quality chemical intermediates.

Safety & Classification

Warning
Classification:

Skin Irrit. 2; Eye Irrit. 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H315

Causes skin irritation.

H319

Causes serious eye irritation.

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

Irritant

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 NameMenadion-nicotinamid-bisulfit
Marine PollutantNo

Frequently Asked Questions

What is 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide?

2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide is an organic chemical compound with CAS number 73581-79-0 and molecular formula C17H16N2O6S. This substance has a molecular weight of 376.4 g/mol and represents a complex molecule combining naphthalene sulfonic acid and pyridine carboxamide structural elements. It is classified as hazardous due to its irritating properties and environmental toxicity.

What are the physicochemical properties of 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide?

2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide is a solid organic compound with molecular formula C17H16N2O6S and molecular weight 376.4 g/mol. The presence of sulfonic acid groups suggests good water solubility, while the naphthalene ring system provides aromatic stability. The compound contains both acidic (sulfonic) and amide functional groups, influencing its chemical reactivity and solubility characteristics.

What is 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide used for?

2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide is primarily used in specialized chemical synthesis and research applications. Its complex structure makes it suitable for pharmaceutical intermediate synthesis, dye chemistry, and analytical chemistry applications. The compound may also serve as a reagent in organic synthesis processes requiring specific naphthalene-pyridine functionalities, though specific industrial applications depend on the manufacturer's intended use.

How to handle 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide safely?

2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide requires careful handling due to its Skin Irrit. 2 and Eye Irrit. 2 classifications. Wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume extraction. Avoid direct skin and eye contact, and prevent inhalation of dust or vapors. Handle containers carefully to prevent spills.

How to store 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide correctly?

2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide should be stored in tightly sealed original containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep separate from incompatible materials such as strong oxidizers and bases. Storage areas should be equipped with appropriate spill containment measures due to the compound's aquatic toxicity classification. Maintain proper inventory control and labeling.

What to do in case of contact with 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide?

Immediate action is required for contact with 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide due to its irritating properties. For skin contact, wash immediately with plenty of water for at least 15 minutes and remove contaminated clothing. For eye contact, rinse thoroughly with water for at least 15 minutes. If inhaled, move to fresh air. Seek medical attention if irritation persists or symptoms develop.

How to dispose of 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide properly?

2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide must be disposed of through authorized hazardous waste management companies due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Never discharge to sewers, waterways, or soil. Collect waste in labeled, sealed containers and arrange collection by licensed waste disposal contractors. Follow local, national, and EU waste regulations including proper waste classification and documentation requirements.

How to transport 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide?

2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transport. This classification requires appropriate UN-specification packaging, proper shipping documentation, and hazard labeling. Transport vehicles must carry appropriate emergency equipment and documentation. Drivers need ADR training certification for Class 9 materials. Ensure packages are secure and protected from damage during transit.

Is 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide subject to specific regulations?

2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide is subject to EU REACH regulation requiring registration for import/manufacture above 1 tonne annually. The compound is not currently classified as a Substance of Very High Concern (SVHC). CLP regulation applies for classification and labeling requirements (Warning signal word, GHS07/GHS09 pictograms). Transport follows ADR Class 9 requirements, and waste disposal must comply with hazardous waste directives.

Where to buy 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide in Europe?

2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound with proper documentation, safety data sheets, and regulatory compliance for EU markets. As a professional chemical distributor, OYSI ensures appropriate packaging, handling, and delivery across Europe while maintaining quality standards and regulatory requirements for this specialized chemical substance.

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2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid;pyridine-3-carboxamide 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.