4-Chlorobutyl Benzoate TCI B1399

Chemical Identity

CAS No.: 946-02-1
PubChem: CID 136761·SID 87564319
Formula: C11H13ClO2
Molecular weight: 212.67 g/mol
Purity: >98.0%(GC)

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: 4-chlorobutyl benzoate
SMILES: C1=CC=C(C=C1)C(=O)OCCCCCl
InChIKey: XFFQVVCNZAYQSJ-UHFFFAOYSA-N

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4-Chlorobutyl Benzoate is a chemical compound widely used as a foundational building block in the synthesis of complex organic compounds. Its molecular structure consists of a benzoate group linked to a chlorinated butyl chain, enabling participation in various chemical reactions such as esterification, substitution, and nucleophilic reactions. This compound plays a crucial role in laboratory settings where the development of new chemical entities is required. Due to its versatility and reactivity, it is a key reagent in the creation of pharmaceuticals, cosmetics, and industrial chemicals.

The compound’s stable chemical structure and controlled reactivity make it a preferred choice for chemists. Its non-polar nature allows for easy solubility in a variety of organic solvents, simplifying purification and reaction processes. Additionally, its solid form facilitates storage and handling, making it a practical option for routine laboratory use. The compound’s predictable behavior under different reaction conditions ensures consistent results, which is essential for both research and industrial applications.

In Indonesian laboratories, 4-Chlorobutyl Benzoate is commonly used in chemical research, particularly in academic institutions and research organizations. It is also found in the pharmaceutical and cosmetic industries, where it serves as a raw material for the production of various products. Its availability and reliability make it a valuable tool for both educational and commercial purposes in the chemical sector.

Related TCI products

Organic synthesis applications benefit from 4-Chlorobutyl Benzoate due to its ability to participate in multiple reaction mechanisms, making it a versatile reagent for complex molecule construction.
Pharmaceutical research utilizes this compound as a precursor for drug development, where its chemical structure can be modified to create bioactive compounds.
Cosmetic formulation processes often incorporate this material as a component in fragrance and emollient compounds, contributing to product stability and sensory properties.
Industrial chemical production relies on this compound for the synthesis of intermediates used in manufacturing various chemical products.
Educational laboratories use it for teaching organic chemistry principles, providing students with hands-on experience in chemical synthesis and reaction mechanisms.

Brand	TCI
CAS number	946-02-1
Molecular formula	—
Purity	—
Category	Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes	Available in various quantities as per supplier specifications
Physical form	Solid
Storage	Store in a cool, dry place away from direct sunlight

4-Chlorobutyl Benzoate should be stored in a cool, dry environment to maintain its chemical stability. It is recommended to keep the compound in a sealed container to prevent moisture absorption and contamination. Due to its non-polar nature, it is advisable to use glass or high-density polyethylene containers for storage. Laboratory personnel should handle the compound with care, using appropriate personal protective equipment such as gloves and safety goggles. Proper ventilation should be maintained in the workspace to ensure safe handling. The compound is not classified as hazardous under standard laboratory conditions, but standard chemical safety protocols should still be followed during use and storage.

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