3-(3-Chlorophenyl)propionic Acid: FAQs & Lab Guide

3-(3-Chlorophenyl)propionicacid is a meta-chloro-substituted arylpropionic acid widely used as a versatile building block and intermediate in pharmaceutical synthesis, agrochemical research, and fine-chemical manufacturing.

CAS Number

21640-48-2

Molecular Formula

C₉H₉ClO₂

Molecular Weight

184.62 g/mol

Appearance

White to off-white crystalline solid

Recommended Storage

Room temperature, sealed, away from moisture and light

SKU (Aladdin)

C132834

What Is 3-(3-Chlorophenyl)propionic Acid?

3-(3-Chlorophenyl)propionic acid, also known as 3-chlorohydrocinnamic acid or β-(3-chlorophenyl)propionic acid, is a chlorinated arylpropionic acid with the molecular formula C₉H₉ClO₂ and a molecular weight of 184.62 g/mol. The compound features a meta-chloro substituent on the phenyl ring attached via a two-carbon propanoic acid chain, making it structurally distinct from ortho- and para-isomers.

This compound is valued in synthetic chemistry as an activated building block: the carboxylic acid group can be readily converted to esters, amides, acyl chlorides, or reduced to the corresponding alcohol, while the aryl chloride provides a handle for cross-coupling reactions such as Suzuki or Buchwald–Hartwig couplings. These attributes make it a practical starting material or intermediate in the preparation of pharmaceutical candidates, agrochemical scaffolds, and specialty polymers.

Physical and Chemical Properties

3-(3-Chlorophenyl)propionic acid is a white to off-white crystalline solid at ambient conditions. Key physicochemical parameters are summarised below:

• Molecular formula: C₉H₉ClO₂
• Molecular weight: 184.62 g/mol
• Melting point: Typically reported in the range of 76–82 °C (consult the certificate of analysis for the specific lot value)
• Solubility: Soluble in common organic solvents such as ethanol, methanol, acetone, ethyl acetate, and dichloromethane; sparingly soluble in water at neutral pH, but solubility increases under basic conditions due to carboxylate salt formation
• pKa: Approximately 4.5–4.7, consistent with a typical arylpropionic acid
• LogP: Moderately lipophilic, facilitating membrane permeability in biological screening assays

These properties make the compound easy to handle in standard organic laboratory settings, provided appropriate personal protective equipment (PPE) is used.

Safe Handling, Storage, and Stability

Handling: Work with 3-(3-Chlorophenyl)propionic acid in a well-ventilated fume hood. Wear appropriate PPE including nitrile gloves, safety glasses, and a lab coat. Avoid inhalation of dust or aerosols during weighing operations. As a carboxylic acid, the compound is mildly irritating to skin, eyes, and the respiratory tract.

Storage: Store in a tightly sealed container at room temperature (15–25 °C), protected from direct light and moisture. The solid is stable under these conditions for an extended period. Avoid storage near strong bases or oxidising agents.

Stability: The compound is chemically stable under standard laboratory storage conditions. There is no known hazardous decomposition under normal use; however, combustion may produce hydrogen chloride (HCl) and carbon oxides. Consult the Safety Data Sheet (SDS) provided by Aladdin Scientific for full hazard and first-aid information before use.

Disposal: Dispose of waste material in accordance with local institutional and governmental regulations for halogenated organic compounds.

Applications in Research and Synthesis

3-(3-Chlorophenyl)propionic acid finds application across several research domains:

• Pharmaceutical synthesis: Serves as a key intermediate in the preparation of central nervous system (CNS) drug candidates, anti-inflammatory agents, and GABA receptor modulators. The meta-chlorophenyl motif is a recognised pharmacophore element in several drug classes.
• Prodrug and ester synthesis: The carboxylic acid group is readily esterified to produce prodrug candidates with improved bioavailability profiles, or to generate activated esters (e.g., NHS esters) for bioconjugation.
• Cross-coupling chemistry: The aryl C–Cl bond participates in palladium- or nickel-catalysed cross-coupling reactions, enabling diversification of the aromatic ring for structure–activity relationship (SAR) studies.
• Agrochemical research: Used as a scaffold for herbicide and fungicide analogue synthesis.
• Polymer and materials science: Incorporated into specialty monomers or used as a chain-end functionalisation reagent.

Researchers should validate suitability for specific applications by consulting the current certificate of analysis (CoA) and peer-reviewed literature.

Ordering, Purity, and Quality Assurance

Ordering from Aladdin Scientific: 3-(3-Chlorophenyl)propionic acid is available under SKU C132834. Orders can be placed through the Aladdin Scientific website, by email, or via an authorised distributor. Bulk quantities and custom packaging may be available upon request — contact the sales team for a quotation.

Purity and specifications: Aladdin Scientific provides a certificate of analysis (CoA) with each lot, documenting purity (typically assessed by GC or HPLC), melting point, and appearance. Customers are encouraged to verify specifications against their application requirements before placing an order. If a specific minimum purity grade is required (e.g., ≥98%), please confirm availability with the Aladdin sales team at the time of enquiry.

Quality assurance: Products are manufactured and quality-controlled in accordance with Aladdin Scientific's internal quality standards. The SDS and CoA are available for download from the product page or upon request from customer service.

Returns and replacements: If you receive a product that does not meet the stated specifications, please contact Aladdin Scientific customer service within the applicable return window with your order number and the lot number from the container label. Refer to Aladdin's returns and refund policy for full details.

Frequently asked questions

What is the CAS number for 3-(3-Chlorophenyl)propionic acid and how do I confirm the identity of the material I receive?

The CAS number is 21640-48-2. Identity can be confirmed using the certificate of analysis (CoA) supplied with each lot, which includes physical characterisation data such as melting point and appearance. For rigorous identity confirmation, analytical techniques such as ¹H NMR, IR spectroscopy, or GC-MS are recommended and should be consistent with the expected structure of C₉H₉ClO₂.

In which solvents can 3-(3-Chlorophenyl)propionic acid be dissolved for use in reactions or assays?

The compound is readily soluble in common polar organic solvents including ethanol, methanol, acetone, ethyl acetate, and dichloromethane. It has limited solubility in water at neutral pH; however, dissolution in aqueous systems is achievable by adjusting the pH to basic conditions (e.g., using sodium hydroxide solution) to form the water-soluble sodium carboxylate salt. For DMSO stock solutions used in biological assays, prepare fresh and avoid prolonged storage, as moisture uptake may occur.

What are the recommended storage conditions to ensure long-term stability of 3-(3-Chlorophenyl)propionic acid?

Store in a tightly sealed container at room temperature (15–25 °C), protected from light, heat, and moisture. Under these conditions, the crystalline solid is chemically stable for an extended period. Avoid contact with strong bases or oxidising agents, which could promote degradation. Always check the expiry date on the container label and the CoA before use.

Can 3-(3-Chlorophenyl)propionic acid be used as a starting material for cross-coupling reactions?

Yes. The aryl C–Cl bond in 3-(3-Chlorophenyl)propionic acid can participate in palladium- or nickel-catalysed cross-coupling reactions, including Suzuki–Miyaura and Buchwald–Hartwig couplings, enabling introduction of diverse aryl, heteroaryl, or amino substituents at the meta position. Researchers should optimise catalyst loading, ligand, base, and solvent conditions for their specific coupling partner and target molecule.

How do I obtain the Safety Data Sheet (SDS) and Certificate of Analysis (CoA) for SKU C132834?

The SDS and CoA for C132834 are available for download directly from the product page on the Aladdin Scientific website. You can also request these documents by contacting Aladdin Scientific customer service via email or phone, quoting your lot number and order details. Lot-specific CoAs include purity, melting point, and appearance data relevant to your received batch.

References

1. Aladdin Scientific product page for 3-(3-Chlorophenyl)propionic acid, SKU C132834. Aladdin Scientific, Shanghai.
2. March, J. Advanced Organic Chemistry: Reactions, Mechanisms, and Structure, 5th ed.; Wiley-Interscience: New York, 2001. General reference for carboxylic acid reactivity and aryl halide cross-coupling.
3. Clayden, J.; Greeves, N.; Warren, S. Organic Chemistry, 2nd ed.; Oxford University Press: Oxford, 2012. General physicochemical principles for arylpropionic acids.

Products are supplied for research and development use only. Not for use in humans, animals, diagnosis, or therapy.