Hexadecyl 3-amino-4-chlorobenzoate

C23H38ClNO2

hexadecyl 3-amino-4-chlorobenzoate

CAS143269-74-3
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt

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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 a chlorinated aromatic ester compound with amino functionality and long alkyl chain properties. This specialized chemical compound represents a unique combination of aromatic chemistry and long-chain aliphatic structure, featuring both amino and chloro substituents on a benzoate framework. The hexadecyl chain provides significant hydrophobic character, while the amino and chloro groups on the benzene ring contribute to its specific reactivity profile and application potential. With a molecular weight of 396 g/mol and the formula C23H38ClNO2, this compound belongs to the family of substituted benzoate esters that find applications in various industrial sectors. The compound exhibits typical properties associated with long-chain aromatic esters, including limited water solubility due to its extensive alkyl chain, while maintaining reactivity through its amino functional group. The presence of both electron-withdrawing chlorine and electron-donating amino groups creates an interesting electronic environment that influences its chemical behavior and stability profile. From a safety perspective, hexadecyl 3-amino-4-chlorobenzoate is classified as Aquatic Chronic 2 under GHS classification, indicating potential long-term effects on aquatic environments. It carries the GHS09 environmental pictogram and falls under ADR Class 9 for transport purposes, requiring appropriate handling protocols and environmental precautions. Industrial applications typically include use as an intermediate in specialty chemical synthesis, potential applications in surfactant formulations due to its amphiphilic structure, and as a building block for more complex molecules in pharmaceutical or agrochemical development. Its structural similarity to compounds like 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline suggests potential utility in materials science applications where chlorinated aromatic amines are valued. OYSI maintains reliable supply chains for this specialized chemical compound, supporting European industrial customers with technical-grade materials and comprehensive documentation.

Safety & Classification

Classification:

Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameHexadecyl-3-amino-4-chlorbenzoat
Marine PollutantNo

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 benzoates and is classified as having chronic aquatic toxicity (Aquatic Chronic 2).

What are the physicochemical properties of hexadecyl 3-amino-4-chlorobenzoate?

Hexadecyl 3-amino-4-chlorobenzoate has a molecular weight of 396 g/mol and molecular formula C23H38ClNO2. Due to its long aliphatic chain and aromatic structure, it likely exists as a solid at room temperature with limited water solubility but good solubility in organic solvents. The presence of the amino group and chlorine substituent influences its polarity and reactivity. Specific physical properties such as melting point and density require analytical determination.

What is hexadecyl 3-amino-4-chlorobenzoate used for?

Hexadecyl 3-amino-4-chlorobenzoate is typically used as a chemical intermediate in organic synthesis and pharmaceutical applications. Its structure suggests potential use in the development of surfactants, emulsifiers, or as a building block for more complex molecules. The compound may also find applications in specialty chemical formulations where its unique combination of aromatic and aliphatic properties provides desired functionality. Specific industrial applications depend on the manufacturer's intended use and product specifications.

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 avoid inhalation. Although no specific signal word is assigned, treat the substance with care due to its potential environmental impact (Aquatic Chronic 2). Avoid direct skin and eye contact, and wash hands thoroughly after handling.

How to store hexadecyl 3-amino-4-chlorobenzoate correctly?

Hexadecyl 3-amino-4-chlorobenzoate should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from direct sunlight and heat sources. Keep the substance away from incompatible materials such as strong oxidizing agents and acids. Ensure storage areas are equipped with appropriate spill containment measures given its aquatic toxicity classification. Store according to local regulations and maintain proper labeling with hazard information including the GHS09 environmental pictogram.

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 wash the affected area with plenty of soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for at least 15 minutes and seek medical attention. If inhaled, move the person to fresh air and seek medical advice if symptoms persist. In case of ingestion, do not induce vomiting and seek immediate medical attention. Remove contaminated clothing and wash before reuse.

How to dispose of hexadecyl 3-amino-4-chlorobenzoate properly?

Hexadecyl 3-amino-4-chlorobenzoate must be disposed of through authorized waste management companies specializing in chemical waste due to its environmental hazard classification (Aquatic Chronic 2, GHS09). Do not discharge into drains, waterways, or soil. Collect waste in appropriate containers and label clearly for hazardous waste disposal. Follow local and national regulations for chemical waste disposal, including any specific requirements for substances with aquatic toxicity. Consult your local environmental authority for specific disposal guidelines.

How to transport hexadecyl 3-amino-4-chlorobenzoate?

Hexadecyl 3-amino-4-chlorobenzoate is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling with Class 9 hazard labels, and compliance with ADR regulations for road transport within Europe. Use UN-approved packaging and ensure proper documentation including transport documents and emergency response information. The substance must be transported by qualified carriers familiar with dangerous goods regulations and environmental hazards.

Is hexadecyl 3-amino-4-chlorobenzoate subject to specific regulations?

Hexadecyl 3-amino-4-chlorobenzoate is subject to REACH regulation for registration and evaluation within the European Union, though it is not classified as a Substance of Very High Concern (SVHC). The substance must comply with CLP regulation for classification and labeling, particularly regarding its Aquatic Chronic 2 classification and GHS09 pictogram requirements. Users must follow environmental protection regulations due to its aquatic toxicity. Import/export may require additional documentation depending on destination country regulations.

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 and research customers across Europe with proper regulatory compliance and documentation. The company ensures appropriate packaging, labeling according to CLP regulation, and provides safety data sheets with current hazard information. Contact OYSI directly for availability, specifications, and delivery options to your location within Europe while ensuring compliance with local handling requirements.

Data Sources

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