Chemical Identity
Molecular Formula
C12H11F6NO2
Molecular Weight
315.21 g/mol
Exact Mass
315.069398
PubChem CID
137332897
IUPAC Name
3-amino-4-[2,4-bis(trifluoromethyl)phenyl]butanoic acid
SMILES String
NC(CC(=O)O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F
Names & Synonyms
External Identifiers
Catalog Overview
3-Amino-4-[2,4-bis(trifluoromethyl)phenyl]butyric Acid, identified by CAS number 1391330-63-4, is an organic compound featuring an amino acid backbone substituted with a 2,4-bis(trifluoromethyl)phenyl group. Its molecular formula is C12H11F6NO2, with an exact mass of 315. 069398 and a molecular weight of 315. 21 g/mol.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
3-Amino-4-[2,4-bis(trifluoromethyl)phenyl]butyric Acid, identified by CAS number 1391330-63-4, is an organic compound featuring an amino acid backbone substituted with a 2,4-bis(trifluoromethyl)phenyl group. Its molecular formula is C12H11F6NO2, with an exact mass of 315.069398 and a molecular weight of 315.21 g/mol. The presence of two trifluoromethyl groups on the phenyl ring significantly influences its electronic and lipophilic properties, which are often desirable in pharmaceutical research for enhancing metabolic stability and bioavailability. As a research-oriented/research-oriented molecule, it may serve as a valuable building block or lead compound in the synthesis of novel chemical entities for various biological investigations. Researchers may explore its potential in structure-activity relationship studies, as a chiral auxiliary, or as a component in peptidomimetics.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White crystalline powder
Physical State
Solid
Melting Point
165.0 °C
Boiling Point
420.0 °C
Density
1.5 g/cm³
Water Solubility
Slightly soluble
Flash Point
210.0 °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 3-Amino-4-[2,4-bis(trifluoromethyl)phenyl]butyric Acid 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. Refer to the Safety Data Sheet (SDS) for comprehensive safety information before handling.
Related Products / Graph Discovery
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