Chemical Identity
Molecular Formula
C9H6ClF3O3
Molecular Weight
254.59 g/mol
Exact Mass
253.995756
PubChem CID
67041821
SMILES String
COc1c(Cl)cc(C(=O)O)cc1C(F)(F)F
Names & Synonyms
External Identifiers
Catalog Overview
3-Chloro-4-methoxy-5-(trifluoromethyl)benzoic acid (CAS 1272528-86-5) is an organic compound with the molecular formula C9H6ClF3O3 and a molecular weight of 254. 59 g/mol. It is characterized by a benzoic acid core substituted with a chlorine atom at position 3, a methoxy group at position 4, and a trifluoromethyl group at position 5. This combination of functional groups makes it a versatile intermediate in organic synthesis.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
3-Chloro-4-methoxy-5-(trifluoromethyl)benzoic acid (CAS 1272528-86-5) is an organic compound with the molecular formula C9H6ClF3O3 and a molecular weight of 254.59 g/mol. It is characterized by a benzoic acid core substituted with a chlorine atom at position 3, a methoxy group at position 4, and a trifluoromethyl group at position 5. This combination of functional groups makes it a versatile intermediate in organic synthesis. Given its structural features, it is classified within the research-oriented chemical scaffold, suggesting its potential utility in medicinal chemistry research for the development of new pharmaceutical candidates or as a probe in biological studies. Researchers may explore its reactivity in various synthetic transformations, including esterification, amide formation, or further derivatization of the aromatic ring.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White to off-white crystalline powder
Physical State
Solid
Melting Point
170.0 °C
Boiling Point
320.0 °C
Density
1.5 g/cm³
Water Solubility
Slightly soluble
Flash Point
190.0 °C
Applications / Classifications
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary safety-style information for reference only. Not a supplier SDS.
Handling and Storage
- Handle with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures.
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Recommended application cues
Catalog discovery cues, not supplier-verified claims.
Related HS Code / Compliance
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