Hexadecyl 3-amino-4-chlorobenzoate
C23H38ClNO2
hexadecyl 3-amino-4-chlorobenzoate
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Identification
- CAS Number
- 143269-74-3
- EC Number
- 419-700-6
- UN Number
- 3077
- Index Number
- 607-456-00-5
- PubChem CID
- 4395990
Physical-chemical properties
- Molecular Formula
- C23H38ClNO2
- Molar Mass
- 396.00 g/mol
- IUPAC Name
- hexadecyl 3-amino-4-chlorobenzoate
Chemical Identifiers
- InChI
- InChI=1S/C23H38ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-23(26)20-16-17-21(24)22(25)19-20/h16-17,19H,2-15,18,25H2,1H3
- InChI Key
- WZPMUDCUMKEHSE-UHFFFAOYSA-N
Overview
Hexadecyl 3-amino-4-chlorobenzoate (CAS 143269-74-3) is an aromatic ester compound with a long-chain alkyl group and substituted benzoate functionality. This specialized chemical compound features a unique molecular structure combining a hexadecyl chain with an amino-chloro-substituted benzoic acid ester. With the molecular formula C23H38ClNO2 and a molecular weight of 396 g/mol, this substance belongs to the family of long-chain alkyl benzoate esters that exhibit distinctive physicochemical properties due to their amphiphilic nature. The compound's structure incorporates both hydrophilic elements through its amino and ester groups, and hydrophobic characteristics via the sixteen-carbon alkyl chain. The presence of chlorine substitution on the aromatic ring influences its chemical reactivity and stability profile. The amino group at the 3-position and chlorine at the 4-position of the benzoate ring create specific electronic effects that can be exploited in various technical applications. From a safety perspective, hexadecyl 3-amino-4-chlorobenzoate is classified under ADR Class 9 miscellaneous dangerous goods and carries the GHS09 environmental hazard pictogram. It presents Aquatic Chronic 2 classification, indicating potential long-term effects on aquatic environments, requiring appropriate handling and disposal protocols in industrial settings. This compound finds applications in specialty chemical formulations, particularly as a surfactant or emulsifying agent in technical preparations. It may also serve as an intermediate in the synthesis of more complex molecules or as a functional additive in polymer applications. Related compounds such as 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline demonstrate the versatility of amino-chloro aromatic structures in industrial chemistry. OYSI maintains reliable supply chains for this specialized technical chemical to serve European industrial customers.
Safety & Classification
Aquatic Chronic 2
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Hexadecyl-3-amino-4-chlorbenzoat |
| Marine Pollutant | No |
Frequently Asked Questions
What is hexadecyl 3-amino-4-chlorobenzoate?
Hexadecyl 3-amino-4-chlorobenzoate is an organic chemical compound with the molecular formula C23H38ClNO2 and CAS number 143269-74-3. This substance is an ester derivative of benzoic acid featuring a long hexadecyl chain, an amino group, and a chlorine substituent on the benzene ring. With a molecular weight of 396 g/mol, it belongs to the class of substituted benzoate esters and is classified as having chronic aquatic toxicity properties under GHS classification system.
What are the physicochemical properties of hexadecyl 3-amino-4-chlorobenzoate?
Hexadecyl 3-amino-4-chlorobenzoate is typically a solid compound at room temperature due to its long aliphatic chain structure. The presence of the hexadecyl group suggests limited water solubility but good solubility in organic solvents. The compound's physical appearance, exact melting point, and specific solubility data would require analytical characterization. The molecular structure combining aromatic and long-chain aliphatic components indicates amphiphilic properties, making it potentially useful in surfactant or emulsification applications.
What is hexadecyl 3-amino-4-chlorobenzoate used for?
Hexadecyl 3-amino-4-chlorobenzoate is primarily used in specialized chemical applications where its unique structural properties are beneficial. The compound's combination of aromatic functionality and long alkyl chain makes it suitable for surfactant formulations, emulsification processes, and potential pharmaceutical intermediates. It may also serve as a building block in organic synthesis or as a functional additive in materials science applications. The amino and chloro substituents provide reactive sites for further chemical modifications in research and development contexts.
How to handle hexadecyl 3-amino-4-chlorobenzoate safely?
Hexadecyl 3-amino-4-chlorobenzoate should be handled with standard laboratory safety precautions including wearing appropriate personal protective equipment such as safety glasses, gloves, and lab coats. Work in well-ventilated areas or under fume hoods to minimize exposure. While the compound doesn't carry acute hazard pictograms, its chronic aquatic toxicity classification (Aquatic Chronic 2) requires careful handling to prevent environmental release. Avoid direct skin and eye contact, and ensure proper hygiene practices including thorough handwashing after handling.
How to store hexadecyl 3-amino-4-chlorobenzoate correctly?
Hexadecyl 3-amino-4-chlorobenzoate should be stored in a cool, dry place 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 bases that could react with the amino or ester functional groups. Maintain storage temperatures below 25°C when possible and ensure adequate ventilation in storage areas. Label containers clearly with substance name, hazard information, and storage date for proper inventory management and safety compliance.
What to do in case of contact with hexadecyl 3-amino-4-chlorobenzoate?
In case of skin contact with hexadecyl 3-amino-4-chlorobenzoate, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for 15-20 minutes while holding eyelids open. If inhaled, move the person to fresh air and monitor breathing. If swallowed, do not induce vomiting and seek medical attention. In all cases of significant exposure or if symptoms develop, consult a physician and provide the safety data sheet.
How to dispose of hexadecyl 3-amino-4-chlorobenzoate properly?
Hexadecyl 3-amino-4-chlorobenzoate must be disposed of through licensed chemical waste disposal services due to its Aquatic Chronic 2 classification. Never discharge this substance into sewers, waterways, or soil as it poses environmental hazards. Collect waste in appropriate containers, clearly labeled with contents and hazard information. Contact certified waste management companies that specialize in chemical disposal and can ensure proper treatment or incineration. Follow local and EU regulations regarding hazardous waste documentation and tracking throughout the disposal process.
How to transport hexadecyl 3-amino-4-chlorobenzoate?
Hexadecyl 3-amino-4-chlorobenzoate is classified under ADR Class 9 (Miscellaneous dangerous goods), Packing Group III, indicating it requires regulated transport procedures. Use appropriate packaging that meets UN specification requirements for Class 9 materials. Ensure proper labeling with GHS09 environmental pictogram and relevant transport documentation. Vehicles must carry appropriate emergency response information and drivers should be trained in hazardous materials transport. Follow ADR regulations for loading, segregation from incompatible materials, and emergency response procedures during transportation.
Is hexadecyl 3-amino-4-chlorobenzoate subject to specific regulations?
Hexadecyl 3-amino-4-chlorobenzoate is subject to EU REACH regulation requiring registration for commercial use and CLP regulation for classification and labeling as Aquatic Chronic 2. The substance is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with safety data sheet requirements, worker protection measures, and environmental release prevention. Industrial users should verify registration status and any use restrictions. Transport requires compliance with ADR Class 9 regulations, and disposal must follow hazardous waste management directives.
Where to buy hexadecyl 3-amino-4-chlorobenzoate in Europe?
Hexadecyl 3-amino-4-chlorobenzoate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to industrial customers, research institutions, and chemical manufacturers across Europe with proper documentation and regulatory compliance. As a technical specialty chemical, it requires professional handling and is typically sold in appropriate quantities for industrial or research applications. Contact OYSI directly for availability, technical specifications, safety documentation, and logistics support for your specific application requirements.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.