Cas no 886500-50-1 (4-Chloro-3-(trifluoromethoxy)benzoic acid)

4-Chloro-3-(trifluoromethoxy)benzoic acid is a fluorinated aromatic carboxylic acid derivative with notable applications in pharmaceutical and agrochemical synthesis. Its key structural features—a chloro substituent and a trifluoromethoxy group—enhance its reactivity and stability, making it a valuable intermediate in the development of bioactive compounds. The trifluoromethoxy group contributes to increased lipophilicity and metabolic resistance, while the carboxylic acid functionality allows for further derivatization. This compound is particularly useful in medicinal chemistry for designing enzyme inhibitors and receptor modulators. Its high purity and consistent performance ensure reliable results in research and industrial applications. Proper handling and storage are recommended due to its reactive nature.

4-Chloro-3-(trifluoromethoxy)benzoic acid structure

886500-50-1 structure

Product Name:4-Chloro-3-(trifluoromethoxy)benzoic acid

CAS No:886500-50-1

MF:C₈H₄ClF₃O₃

MW:240.563772201538

MDL:MFCD06660238

CID:1028170

Update Time:2025-06-07

4-Chloro-3-(trifluoromethoxy)benzoic acid Chemical and Physical Properties

Names and Identifiers

- 4-Chloro-3-(trifluoromethoxy)benzoic acid
- 4-Chloro-3-trifluoromethoxy-benzoic acid
- GTBBHPFHWDVWMS-UHFFFAOYSA-N
- WT2103
- SBB099315
- CM12609
- PC302741
- AX8161172
- AB0030597
- X2805
- ST24029010
- A20240
- 4-Chloro-3-(trifluoromethoxy)benzoic acid (ACI)
- MDL： MFCD06660238
- Inchi： 1S/C8H4ClF3O3/c9-5-2-1-4(7(13)14)3-6(5)15-8(10,11)12/h1-3H,(H,13,14)
- InChI Key： GTBBHPFHWDVWMS-UHFFFAOYSA-N
- SMILES： O=C(C1C=C(OC(F)(F)F)C(Cl)=CC=1)O

Computed Properties

Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 6
Heavy Atom Count: 15
Rotatable Bond Count: 2
Complexity: 244
XLogP3: 4
Topological Polar Surface Area: 46.5

Experimental Properties

Density: 1.558±0.06 g/cm3 (20 oC 760 Torr)
Melting Point: 123-126℃
Boiling Point: 276.6±35.0℃ (760 Torr)
Flash Point: 121.1±25.9℃
Water Partition Coefficient: Sparingly Soluble in water.

4-Chloro-3-(trifluoromethoxy)benzoic acid Pricemore >>

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