Zinc;2-(benzenesulfonamido)benzoate;hydroxide

C13H11NO5SZn

zinc;2-(benzenesulfonamido)benzoate;hydroxide

CAS113036-91-2
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
113036-91-2
EC Number
403-750-0
UN Number
3077
Index Number
030-008-00-X
PubChem CID
165355270

Physical-chemical properties

Molecular Formula
C13H11NO5SZn
Molar Mass
358.70 g/mol
IUPAC Name
zinc;2-(benzenesulfonamido)benzoate;hydroxide

Chemical Identifiers

InChI
InChI=1S/C13H11NO4S.H2O.Zn/c15-13(16)11-8-4-5-9-12(11)14-19(17,18)10-6-2-1-3-7-10;;/h1-9,14H,(H,15,16);1H2;/q;;+2/p-2
InChI Key
TVHGSBXSBKMSER-UHFFFAOYSA-L

Overview

Zinc;2-(benzenesulfonamido)benzoate;hydroxide (CAS 113036-91-2) is an organozinc compound featuring sulfonamide functionality with antimicrobial and stabilizing properties. This specialized zinc complex represents a sophisticated organometallic compound that combines the beneficial properties of zinc with a benzenesulfonamide-substituted benzoate structure. The compound's molecular formula C13H11NO5SZn reflects its complex architecture, incorporating both organic pharmaceutical motifs and inorganic zinc coordination chemistry. With a molecular weight of 358.7 g/mol, this substance exhibits unique characteristics that make it valuable in various technical applications where both zinc's catalytic properties and the sulfonamide group's biological activity are desired. The compound is classified under GHS hazard categories Acute Tox. 4 and Aquatic Chronic 2, requiring appropriate handling precautions as indicated by the GHS07 and GHS09 pictograms. Its ADR Class 9 classification designates it as a miscellaneous dangerous substance for transportation purposes. The presence of the hydroxide group in the structure contributes to the compound's reactivity profile and influences its solubility characteristics in various media. Primary industrial applications include use as a specialized catalyst in organic synthesis, particularly in reactions where zinc coordination is beneficial. The compound also finds application in antimicrobial formulations due to its sulfonamide functionality, and as a stabilizing agent in polymer systems. Its unique structure makes it particularly valuable in applications requiring both catalytic activity and biological compatibility, distinguishing it from simpler compounds like diethyl 2-[(4-ethoxyanilino)methylidene]propanedioate used in different synthetic applications. OYSI provides reliable access to this specialized organozinc compound for European industrial customers requiring high-quality technical chemicals.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H332

Harmful if inhaled.

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

Inhalation

Harmful

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call 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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameHydroxo(2-(benzensulfonamido)-benzoato)-zink(II)
Marine PollutantNo

Frequently Asked Questions

What is zinc;2-(benzenesulfonamido)benzoate;hydroxide?

Zinc;2-(benzenesulfonamido)benzoate;hydroxide is an organometallic compound with the molecular formula C13H11NO5SZn and CAS number 113036-91-2. This complex zinc salt combines benzenesulfonamide and benzoate functional groups with zinc hydroxide, resulting in a molecular weight of 358.7 g/mol. It is classified as a hazardous substance with acute toxicity and chronic aquatic toxicity properties, requiring careful handling in industrial applications.

What are the physicochemical properties of zinc;2-(benzenesulfonamido)benzoate;hydroxide?

Zinc;2-(benzenesulfonamido)benzoate;hydroxide is a solid compound at room temperature with a molecular weight of 358.7 g/mol. As an organometallic zinc complex, it likely exhibits limited water solubility due to its organic components. The compound contains both hydrophilic (hydroxide, sulfonamide) and hydrophobic (benzene rings) moieties, affecting its dissolution behavior. Specific physical properties like melting point and exact solubility parameters would require experimental determination.

What is zinc;2-(benzenesulfonamido)benzoate;hydroxide used for?

Zinc;2-(benzenesulfonamido)benzoate;hydroxide is typically used as a specialty chemical in pharmaceutical intermediates, catalysis, or materials science applications. Its unique structure combining zinc metal center with organic ligands makes it valuable in coordination chemistry and potentially as a catalyst precursor. The benzenesulfonamide moiety suggests possible applications in medicinal chemistry research or as a building block for drug development, though specific industrial uses depend on the manufacturer's intended application.

How to handle zinc;2-(benzenesulfonamido)benzoate;hydroxide safely?

Zinc;2-(benzenesulfonamido)benzoate;hydroxide requires careful handling due to its Acute Tox. 4 classification and Warning signal word. Use appropriate personal protective equipment including safety glasses, gloves, and lab coats. Work in well-ventilated areas or under fume hoods to avoid inhalation. The GHS07 pictogram indicates health hazards, so minimize skin and eye contact. Handle quantities according to good laboratory practices and ensure proper training before use.

How to store zinc;2-(benzenesulfonamido)benzoate;hydroxide correctly?

Zinc;2-(benzenesulfonamido)benzoate;hydroxide should be stored in a cool, dry place away from incompatible materials. Keep containers tightly closed to prevent moisture absorption and contamination. Store separately from strong acids, bases, and oxidizing agents that might react with the zinc complex. Maintain storage temperature below 25°C when possible and ensure adequate ventilation in storage areas. Label containers clearly and implement inventory tracking for hazardous substances.

What to do in case of contact with zinc;2-(benzenesulfonamido)benzoate;hydroxide?

Zinc;2-(benzenesulfonamido)benzoate;hydroxide exposure requires immediate first aid measures. For skin contact, remove contaminated clothing and wash affected areas with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical care. Always consult safety data sheets for specific emergency procedures.

How to dispose of zinc;2-(benzenesulfonamido)benzoate;hydroxide properly?

Zinc;2-(benzenesulfonamido)benzoate;hydroxide must be disposed of as hazardous waste according to local and EU regulations. The compound's Aquatic Chronic 2 classification requires special attention to prevent environmental contamination. Contact licensed waste disposal companies experienced with organometallic compounds. Never discharge to sewers or waterways. Collect waste in appropriate containers, label clearly, and maintain disposal documentation. Consider recovery or recycling options for zinc-containing compounds where available.

How to transport zinc;2-(benzenesulfonamido)benzoate;hydroxide?

Zinc;2-(benzenesulfonamido)benzoate;hydroxide is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transport purposes. This classification indicates moderate danger requiring specific packaging and documentation. Use UN-approved packaging suitable for Class 9 materials and ensure proper labeling with hazard markings. Transport documentation must include proper shipping names and emergency contact information. Follow ADR regulations for loading, segregation, and vehicle requirements during transportation.

Is zinc;2-(benzenesulfonamido)benzoate;hydroxide subject to specific regulations?

Zinc;2-(benzenesulfonamido)benzoate;hydroxide is subject to standard EU chemical regulations including REACH and CLP requirements. The compound is not classified as a Substance of Very High Concern (SVHC), simplifying regulatory compliance. However, its hazard classification requires safety data sheet provision and proper labeling with GHS07 and GHS09 pictograms. Users must comply with occupational exposure limits and waste management regulations. Registration status under REACH should be verified for commercial use.

Where to buy zinc;2-(benzenesulfonamido)benzoate;hydroxide in Europe?

Zinc;2-(benzenesulfonamido)benzoate;hydroxide is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to research institutions and industrial customers across Europe with proper regulatory documentation and safety data sheets. As a specialty organometallic compound, availability may require advance ordering. Contact OYSI directly for current stock status, technical specifications, packaging options, and delivery arrangements to your specific European location.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.