Description
1-Fluoro-3-(trans-4-propylcyclohexyl)benzene (CAS No. 138679-81-9) is a high-purity fluorinated aromatic compound with the molecular formula C15H21F. This specialty chemical features a trans-4-propylcyclohexyl group attached to a fluorinated benzene ring, offering unique steric and electronic properties for advanced research applications. With a molecular weight of 220.33 g/mol, this compound is characterized by its excellent stability and potential as a building block in liquid crystal materials, pharmaceutical intermediates, and organic synthesis. Available in >98% purity (GC), it is supplied in rigorously tested batches to ensure consistency for demanding laboratory and industrial applications. Proper storage under inert atmosphere at 2-8°C is recommended to maintain product integrity.
Properties
- CAS Number: 138679-81-9
- Complexity: 194
- IUPAC Name: 1-fluoro-3-(4-propylcyclohexyl)benzene
- InChI: InChI=1S/C15H21F/c1-2-4-12-7-9-13(10-8-12)14-5-3-6-15(16)11-14/h3,5-6,11-13H,2,4,7-10H2,1H3
- InChI Key: UCPPGQWSQUGPEY-UHFFFAOYSA-N
- Exact Mass: 220.162728832
- Molecular Formula: C15H21F
- Molecular Weight: 220.32
- SMILES: CCCC1CCC(CC1)C2=CC(=CC=C2)F
- Monoisotopic Mass: 220.162728832
- Synonyms: 1-Fluoro-3-(4-propylcyclohexyl)benzene, 1-Fluoro-3-(trans-4-propylcyclohexyl)benzene, 138679-81-9, 119511-09-0, 4-propyl-1-(3-fluorophenyl)-cyclohexane, Benzene, 1-fluoro-3-(4-propylcyclohexyl)-, SCHEMBL731683, SCHEMBL2886666, UCPPGQWSQUGPEY-JOCQHMNTSA-N, UCPPGQWSQUGPEY-UHFFFAOYSA-N, DTXSID701035918, AKOS015998938, DB-103228, DB-340428, CS-0445785, NS00002073, N10650, 1-Fluoro-3-((1s,4r)-4-propylcyclohexyl)benzene
Application
This fluorinated cyclohexylbenzene derivative serves as a key intermediate in the synthesis of advanced liquid crystal compounds for display technologies. Researchers utilize its rigid cyclohexyl backbone and fluorine substitution to modify dielectric anisotropy in nematic LC mixtures. The compound also finds use in pharmaceutical research as a scaffold for drug discovery, particularly in CNS-targeting molecules. Its unique structure makes it valuable for studying structure-property relationships in material science applications.
Safety and Hazards
GHS Hazard Statements
- H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statements
- P264, P280, P302+P352, P321, P332+P317, and P362+P364
Hazard Classes and Categories
- Skin Irrit. 2 (100%)
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