Chemical Identity
Molecular Formula
C12H11F6NO2
Molecular Weight
315.21 g/mol
Exact Mass
315.069398
PubChem CID
89907181
IUPAC Name
3-amino-4-[3,5-bis(trifluoromethyl)phenyl]butanoic acid
SMILES String
NC(CC(=O)O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
Names & Synonyms
External Identifiers
Catalog Overview
3-Amino-4-[3,5-bis(trifluoromethyl)phenyl]butyric Acid, identified by CAS 1391230-73-1, is an organic compound featuring both an amino group and a carboxylic acid group on a four-carbon chain, with a phenyl ring substituted by two trifluoromethyl groups at positions 3 and 5. Its molecular formula is C12H11F6NO2 and its molecular weight is 315. 21. The presence of trifluoromethyl groups often imparts unique physicochemical properties, such as increased lipophilicity and metabolic stability, making this compound a valuable intermediate in the synthesis of complex molecules.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
3-Amino-4-[3,5-bis(trifluoromethyl)phenyl]butyric Acid, identified by CAS 1391230-73-1, is an organic compound featuring both an amino group and a carboxylic acid group on a four-carbon chain, with a phenyl ring substituted by two trifluoromethyl groups at positions 3 and 5. Its molecular formula is C12H11F6NO2 and its molecular weight is 315.21. The presence of trifluoromethyl groups often imparts unique physicochemical properties, such as increased lipophilicity and metabolic stability, making this compound a valuable intermediate in the synthesis of complex molecules. It is classified within the "druglike_bioactive_like" structural bucket, indicating its potential relevance in pharmaceutical research and development.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White crystalline solid
Physical State
Solid
Melting Point
165.0 °C
Boiling Point
400.0 °C
Density
1.5 g/cm³
Water Solubility
Slightly soluble
Flash Point
280.0 °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
- For research use only. Handle 3-Amino-4-[3,5-bis(trifluoromethyl)phenyl]butyric Acid in a well-ventilated area or fume hood. Wear appropriate personal protective equipment, including safety goggles, gloves, and a lab coat, to prevent skin and eye contact. Avoid inhalation of dust or vapors. 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 comprehensive safety information before handling.
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Catalog discovery cues, not supplier-verified claims.
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