Benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate
C29H41NO4S
benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate
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Identification
- CAS Number
- 102561-46-6
- EC Number
- 402-240-5
- UN Number
- 3077
- Index Number
- 016-052-00-2
- PubChem CID
- 124610
Physical-chemical properties
- Molecular Formula
- C29H41NO4S
- Molar Mass
- 499.70 g/mol
- IUPAC Name
- benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate
Chemical Identifiers
- InChI
- InChI=1S/C19H34N.C10H8O4S/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h10-14H,4-9,15-18H2,1-3H3;1-6,11H,(H,12,13,14)/q+1;/p-1
- InChI Key
- XVJXBJTXFXPQAN-UHFFFAOYSA-M
Overview
Benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate (CAS 102561-46-6) is a quaternary ammonium salt compound with surfactant and catalytic properties. This specialized chemical compound, with the molecular formula C29H41NO4S and a molecular weight of 499.7 g/mol, belongs to the family of quaternary ammonium compounds combined with naphthalene sulfonate derivatives. The structure features a benzyl(tributyl)azanium cation paired with a 4-hydroxynaphthalene-1-sulfonate anion, creating a compound that exhibits both cationic surfactant characteristics and aromatic functionality from the naphthalene moiety. The compound presents moderate toxicity concerns, classified under Acute Tox. 4 with aquatic chronic toxicity (Aquatic Chronic 2), requiring appropriate handling precautions as indicated by the Warning signal word and GHS07/GHS09 pictograms. Its ADR classification as Class 9 indicates it falls under miscellaneous dangerous substances for transportation purposes. The quaternary ammonium structure provides excellent surface-active properties, while the naphthalene sulfonate component contributes to its solubility and stability characteristics. Industrial applications typically include use as a phase transfer catalyst in organic synthesis reactions, where its quaternary ammonium structure facilitates ion transport between phases. The compound also finds application in specialty surfactant formulations and as an intermediate in pharmaceutical synthesis processes. Its properties make it particularly valuable in applications requiring both catalytic activity and surface modification capabilities, distinguishing it from simpler compounds like diethyl 2-[(4-ethoxyanilino)methylidene]propanedioate which serves different synthetic purposes. OYSI provides reliable access to benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate for European customers requiring this specialized quaternary ammonium compound for technical applications.
Safety & Classification
Acute Tox. 4 *; Aquatic Chronic 2
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
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 Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Benzyltributylammonium-4-hydroxynaphthalin-1-sulfonat |
| Marine Pollutant | No |
Frequently Asked Questions
What is benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate?
Benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate is a quaternary ammonium compound with the molecular formula C29H41NO4S and a molecular weight of 499.7 g/mol. This chemical substance (CAS 102561-46-6) combines a tributylbenzylammonium cation with a 4-hydroxynaphthalene-1-sulfonate anion. It is classified as moderately hazardous with acute toxicity category 4 and chronic aquatic toxicity category 2, requiring appropriate safety precautions during handling and use.
What are the physicochemical properties of benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate?
Benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate is an organic salt with a molecular weight of 499.7 g/mol and formula C29H41NO4S. As a quaternary ammonium compound paired with a sulfonate anion, it typically exists as a solid at room temperature. The substance shows moderate water solubility due to its ionic nature, while the long alkyl chains provide some organic solvent compatibility. Specific physical properties such as melting point and exact solubility data should be verified through analytical testing.
What is benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate used for?
Benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate is primarily used as a phase transfer catalyst in organic synthesis reactions. Its quaternary ammonium structure facilitates the transfer of ions between aqueous and organic phases, enabling efficient chemical transformations. The compound may also serve specialized roles in pharmaceutical intermediates, surfactant formulations, or analytical chemistry applications. Its specific naphthalene sulfonate component can provide additional functional properties in specialized chemical processes requiring both catalytic and structural characteristics.
How to handle benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate safely?
Benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate must be handled with appropriate personal protective equipment including safety goggles, chemical-resistant gloves, and protective clothing. Work should be conducted in well-ventilated areas or under fume extraction due to its Acute Tox. 4 classification. Avoid direct skin contact, inhalation, and ingestion. Use proper laboratory techniques including secondary containment and avoid generating dust or aerosols. Emergency eyewash and safety shower facilities should be readily accessible in the work area.
How to store benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate correctly?
Benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly sealed to prevent moisture absorption and contamination. Store separately from strong oxidizing agents, acids, and incompatible materials. The storage area should be equipped with appropriate spill containment measures and restricted to authorized personnel only. Maintain proper inventory management and regular inspection of container integrity to ensure safe long-term storage.
What to do in case of contact with benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate?
Immediate first aid measures for benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate exposure include thorough rinsing with water for at least 15 minutes for skin or eye contact. Remove contaminated clothing and seek medical attention if irritation persists. In case of inhalation, move to fresh air immediately and monitor respiratory function. If ingested, rinse mouth with water, do not induce vomiting, and seek immediate medical attention. Always consult a physician and provide the safety data sheet for proper medical evaluation and treatment.
How to dispose of benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate appropriately?
Benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate must be disposed of through licensed hazardous waste contractors in accordance with local and national environmental regulations. Do not discharge into sewers, waterways, or soil due to its Aquatic Chronic 2 classification. Small quantities may require special chemical waste collection, while larger amounts need professional hazardous waste management. Ensure proper waste classification, documentation, and tracking throughout the disposal process. Consult local environmental authorities for specific disposal requirements in your region.
How to transport benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate?
Benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Use UN-certified packaging suitable for Class 9 materials and ensure proper hazard labels and shipping papers accompany the shipment. Transportation should be handled by trained personnel familiar with dangerous goods requirements and emergency response procedures for chemical spills or accidents.
Is benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate subject to specific regulations?
Benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate is subject to REACH regulation requiring registration for manufacture or import above one tonne annually in the EU. The substance is not classified as a Substance of Very High Concern (SVHC). It must comply with CLP regulation for classification, labeling, and packaging requirements, displaying Warning signal word and appropriate GHS pictograms (GHS07, GHS09). Users must maintain safety data sheets and ensure proper risk assessment and management measures are implemented according to European chemical safety legislation.
Where to buy benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate in Europe?
Benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides this compound with full regulatory compliance including proper documentation, safety data sheets, and certificates of analysis. As an established chemical supplier, OYSI ensures reliable supply chain management and technical support for industrial and research applications throughout Europe. Contact OYSI directly for current availability, packaging options, and technical specifications for your specific requirements.
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Benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.