Description

4-(4-Chlorophenyl)cyclohexane-1-carboxylic acid (CAS No. 49708-81-8) is a high-purity organic compound with the molecular formula C₁₃H₁₅ClO₂. This white to off-white crystalline solid is a versatile intermediate widely used in pharmaceutical research, agrochemical synthesis, and material science applications. With a molecular weight of 238.71 g/mol, this compound features a cyclohexane ring substituted with both a carboxylic acid group and a 4-chlorophenyl moiety, offering unique reactivity for further derivatization. Our product is rigorously tested to ensure ≥98% purity by HPLC, with detailed characterization including ¹H NMR, ¹³C NMR, and mass spectrometry data available. Suitable for laboratory use only, this chemical is supplied in amber glass vials with secure closures to ensure stability and longevity. Store at 2-8°C in a dry environment protected from light.

Properties

• CAS Number: 49708-81-8
• Complexity: 238
• IUPAC Name: 4-(4-chlorophenyl)cyclohexanecarboxylic acid
• InChI: InChI=1S/C13H15ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h5-9,11H,1-4H2,(H,15,16)
• InChI Key: NXXDIEYTMQYWJU-UHFFFAOYSA-N
• Exact Mass: 238.0760574
• Molecular Formula: C13H15ClO2
• Molecular Weight: 238.71
• SMILES: C1CC(CCC1C2=CC=C(C=C2)Cl)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 238.0760574
• Synonyms: 4-(4-Chlorophenyl)cyclohexanecarboxylic acid, 4-(4-chlorophenyl)cyclohexane-1-carboxylic Acid, 827-166-4, 49708-81-8, 95233-37-7, trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid, 1346600-43-8, cis-4-(4-Chlorophenyl)cyclohexanecarboxylic Acid, Cyclohexanecarboxylic acid, 4-(4-chlorophenyl)-, trans-, Cyclohexanecarboxylic acid, 4-(4-chlorophenyl)-, (E)-4-(4-chlorophenyl)cyclohexanecarboxylic acid, MFCD00665919, MFCD06797626, trans-4-(p-Chlorophenyl)cyclohexanecarboxylic acid, trans-?4-?(4-?Chlorophenyl)?cyclohexanecarboxyli?c Acid, 4-(4-CHLOROPHENYL)CYCLOHEXANE CARBOXYLIC ACID, trans-4-(4-Chlorophenyl)cyclohexane-1-carboxylic acid, H7K9WUV7GP, Oprea1_374119, trans-4-(4-Chlorophenyl)cyclohexanecarboxylicacid, SCHEMBL637532, SCHEMBL918204, (1r,4r)-4-(4-Chlorophenyl)cyclohexanecarboxylic acid, 925WLS25HD, (1r,4r)-4-(4-chlorophenyl)cyclohexane-1-carboxylic acid, DTXSID80964358, NXXDIEYTMQYWJU-HOMQSWHASA-N, CCG-41223, SBB064225, AKOS005080984, AKOS015999167, AC-6139, CS-W012833, CS-W019411, DS-0937, PS-7612, SB66535, SB66837, SY109890, SY116250, DB-057569, DB-307755, NS00003962, NS00077684, ST51000597, 4-(4-chlorophenyl)-cyclohexanecarboxylic acid, 4-(4-chloro-phenyl)-cyclohexanecarboxylic acid, 4-(4-Chlorophenyl)cyclohexan-1-carboxylic acid, E70394, 4-(4-chlorophenyl)cyclohexane-l-carboxylic acid, 12N-240, 4-(4-chlorophenyl)-cyclohexane-1-carboxylic acid, (E)-4-(4-Chloro-phenyl)cyclohexanecarboxylic acid, 4-(4-Chlorophenyl)cyclohexanecarboxylic acid, cis-, SR-01000631315-1, trans-4-(4-chlorophenyl)cyclohexane carboxylic acid, trans-4-(p-chlorophenyl)cyclohexane carboxylic acid, 4-(4-Chlorophenyl)cyclohexanecarboxylic acid, trans-, trans 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid, Cyclohexanecarboxylic acid, 4-(4-chlorophenyl)-, cis-, trans 4-(4-chlorophenyl)-cyclohexane-1-carboxylic acid, cis-4-(4-Chlorophenyl)cyclohexanecarboxylic Acid; Cyclohexanecarboxylic acid, 4-(4-chlorophenyl)-, cis-; cis-4-(4-Chlorophenyl)cyclohexanecarboxylic Acid, Cyclohexanecarboxylic acid, 4-(4-chlorophenyl)-, trans-; trans-4-(4-Chlorophenyl)cyclohexanecarboxylic acid; trans-4-(p-Chlorophenyl)cyclohexanecarboxylic acid; trans-4-(4-Chlorophenyl)cyclohexanecarboxylic Acid

Application

This compound serves as a key building block in medicinal chemistry for the development of novel pharmaceutical candidates, particularly in CNS-targeted therapies. Researchers utilize it as a precursor for synthesizing more complex molecules with potential biological activity. The chlorophenyl and carboxylic acid functionalities make it valuable for structure-activity relationship studies in drug discovery programs. It’s also employed in materials science for creating specialized polymers with unique thermal properties.

Safety and Hazards

GHS Hazard Statements

• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H373 (50%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
• H411 (50%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P260, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (50%)
• Eye Dam. 1 (50%)
• STOT SE 3 (50%)
• STOT RE 2 (50%)
• Aquatic Chronic 2 (50%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.