Benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate

C29H41NO4S

benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate

CAS102561-46-6
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 sulfonate salt with surfactant and phase-transfer catalytic properties. This specialized chemical compound represents a unique combination of a quaternary ammonium cation and a hydroxynaphthalenesulfonate anion, resulting in distinctive amphiphilic characteristics. With its molecular formula C29H41NO4S and molecular weight of 499.7 g/mol, this substance exhibits both hydrophilic and lipophilic properties due to its ionic structure and organic substituents. The benzyl and tributyl groups attached to the nitrogen center provide significant organic character, while the 4-hydroxynaphthalene-1-sulfonate counterion contributes to the compound's solubility profile and functionality. From a safety perspective, this material is classified under GHS as Acute Tox. 4 and Aquatic Chronic 2, requiring appropriate handling precautions. The warning signal word and associated GHS07 and GHS09 pictograms indicate potential acute toxicity concerns and environmental hazards to aquatic life. Transport classification under ADR Class 9 designates it as a miscellaneous dangerous substance requiring proper shipping protocols. Industrial applications typically leverage its quaternary ammonium structure and sulfonate functionality for specialized surfactant applications, phase-transfer catalysis reactions, and as an intermediate in organic synthesis processes. Its properties make it particularly valuable in applications requiring both surface-active behavior and ionic characteristics. Unlike related compounds such as diethyl 2-[(4-ethoxyanilino)methylidene]propanedioate or S-propyl N-butyl-N-ethylcarbamothioate, which serve different synthetic purposes, this quaternary ammonium salt offers unique solubilization and catalytic properties. OYSI maintains reliable supply chains for benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate to support European industrial customers requiring this specialized chemical intermediate.

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 NameBenzyltributylammonium-4-hydroxynaphthalin-1-sulfonat
Marine PollutantNo

Frequently Asked Questions

What is benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate?

Benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate is a quaternary ammonium salt compound with the molecular formula C29H41NO4S and CAS number 102561-46-6. This chemical substance has a molecular weight of 499.7 g/mol and consists of a benzyl tributyl ammonium cation paired with a 4-hydroxynaphthalene-1-sulfonate anion. It is classified as a moderately hazardous chemical with acute toxicity and environmental concerns, requiring careful handling in industrial applications.

What are the physicochemical properties of benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate?

Benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate is a complex organic salt with a molecular mass of 499.7 g/mol. As a quaternary ammonium compound, it typically exists as a solid or viscous liquid at room temperature. The presence of both hydrophobic alkyl chains and a hydrophilic sulfonate group suggests amphiphilic properties. The compound's physical appearance, exact melting point, and solubility characteristics depend on purity and environmental conditions, requiring consultation of detailed technical specifications for precise values.

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 and chemical manufacturing processes. Its quaternary ammonium structure makes it valuable for facilitating reactions between aqueous and organic phases. The compound may also serve as a surfactant or emulsifying agent in specialized industrial applications. Its specific properties make it suitable for use in pharmaceutical intermediates, specialty chemical synthesis, and advanced material production where precise catalytic control is required.

How to handle benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate safely?

Benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate requires careful handling due to its Acute Tox. 4 classification and environmental hazard profile. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid direct skin and eye contact, and prevent release into the environment. Follow GHS07 and GHS09 pictogram warnings, ensuring proper training for all personnel handling this substance.

How to store benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate correctly?

Benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate should be stored in tightly sealed, original containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers protected from moisture and extreme temperatures to maintain product stability. Storage areas must be equipped with appropriate containment measures to prevent environmental release, given its Aquatic Chronic 2 classification. Ensure proper labeling with GHS pictograms and maintain inventory records for regulatory compliance and safety management.

What to do in case of contact with benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate?

Immediate action is required upon contact with benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate due to its acute toxicity. For skin contact, remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. In case of eye contact, flush immediately with clean water and seek medical attention. If inhaled, move to fresh air and monitor breathing. For ingestion, do not induce vomiting and seek immediate medical care. Always consult the safety data sheet for specific first aid measures.

How to dispose of benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate properly?

Benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate disposal must comply with local and European waste regulations due to its hazardous classification. The substance should be treated as hazardous waste and disposed of through authorized waste management facilities capable of handling toxic and environmentally harmful chemicals. Never discharge into sewers, water courses, or soil. Incineration at high temperatures in licensed facilities is typically the preferred disposal method. Consult local authorities and waste disposal specialists for specific requirements and approved disposal routes.

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 purposes. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations for road transport within Europe. Containers must be properly sealed and labeled with hazard identifications. Transport vehicles should carry appropriate emergency equipment and documentation. Drivers must hold valid ADR certification for Class 9 materials, and shipments require proper dangerous goods declarations.

Is benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate subject to specific regulations?

Benzyl(tributyl)azanium;4-hydroxynaphthalene-1-sulfonate is subject to European REACH and CLP regulations due to its hazardous classification but is not currently listed as a Substance of Very High Concern (SVHC). Companies must comply with registration, classification, and safety data sheet requirements under these frameworks. The substance's Acute Tox. 4 and Aquatic Chronic 2 classifications trigger specific labeling, handling, and reporting obligations. Users must ensure proper risk assessments and implement appropriate risk management measures in accordance with 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 to qualified industrial customers across Europe, ensuring full regulatory compliance and proper documentation including safety data sheets and certificates of analysis. As a professional chemical distributor, OYSI maintains appropriate storage and handling facilities while offering technical support for industrial applications requiring this specialized quaternary ammonium compound.

Data Sources

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