C13H15ClO2
238.71 g/mol
Pharmaceutical IntermediateDanger
4-(4-Chlorophenyl)cyclohexanecarboxylic acid
CAS49708-81-8EC827-166-4
Category
Pharmaceutical Intermediate
Compound Class
Organic Acid
Primary Use
Pharmaceutical Intermediate
4-(4-Chlorophenyl)cyclohexanecarboxylic acid is a chemical compound used as an intermediate in the synthesis of the pharmaceutical agent atovaquone. It features a carboxylic acid group, an aromatic ring with a chlorine substituent, and a cyclohexane ring, giving it moderate lipophilicity and a polar surface area suitable for further chemical modification.
Pharmaceutical intermediate for manufacturing atovaquone
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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Related Compounds
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pharmaceutical intermediate
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industrial solvent and chemical intermediate
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Safety Reference
Danger
H315Causes skin irritation
H318Causes serious eye damage
H335May cause respiratory irritation
H373May cause damage to organs through prolonged or repeated exposure
H411Toxic to aquatic life with long lasting effects
Customs Tariff Classification
The international HS code for 4-(4-Chlorophenyl)cyclohexanecarboxylic acid (CAS 49708-81-8) is 2916.39.
HS code (international, 6-digit)
2916.39
EU CN code (8-digit)
2916 39 90
Classification per the EU customs inventory ECICS (2026-07 snapshot, HS 2022). National tariff lines and product form can affect the final classification.
Identifiers
IUPAC Name
4-(4-chlorophenyl)cyclohexane-1-carboxylic acid
InChIKey
NXXDIEYTMQYWJU-UHFFFAOYSA-N
SMILES
C1CC(CCC1C2=CC=C(C=C2)Cl)C(=O)O
Synonyms (19)
- Atovaquone Related Compound 3
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