Description
1-Butoxy-2,3-Difluorobenzene (CAS No. 136239-66-2) is a high-purity fluorinated aromatic ether compound with the molecular formula C10H12F2O. This specialty chemical is characterized by its butoxy group at the 1-position and two fluorine atoms at the 2- and 3-positions of the benzene ring, offering unique electronic and steric properties. It is a clear, colorless to pale yellow liquid with a molecular weight of 186.20 g/mol, making it suitable for advanced synthetic applications. Ideal for researchers and scientists, this compound is rigorously tested for purity (typically ≥95% by GC) and is supplied in sealed, light-resistant containers to ensure stability. Its fluorinated aromatic structure makes it a valuable intermediate in pharmaceuticals, agrochemicals, and materials science.
Properties
- CAS Number: 136239-66-2
- Complexity: 141
- IUPAC Name: 1-butoxy-2,3-difluoro-benzene
- InChI: InChI=1S/C10H12F2O/c1-2-3-7-13-9-6-4-5-8(11)10(9)12/h4-6H,2-3,7H2,1H3
- InChI Key: HYDIPEHDSUNHPA-UHFFFAOYSA-N
- Exact Mass: 186.08562133
- Molecular Formula: C10H12F2O
- Molecular Weight: 186.20
- SMILES: CCCCOC1=C(C(=CC=C1)F)F
- Topological: 9.2
- Monoisotopic Mass: 186.08562133
- Synonyms: 1-Butoxy-2,3-Difluorobenzene, 136239-66-2, DTXSID70382365, DTXCID50333390, 446-810-1, 2,3-DIFLUOROBUTOXYBENZENE, 3-butoxy-1,2-difluorobenzene, 1-n-Butoxy-2,3-difluorobenzene, But-1-yl 2,3-difluorophenyl ether, Benzene, 1-butoxy-2,3-difluoro-, C10H12F2O, MFCD07368738, SCHEMBL427889, 4-butoxy-2,3-difluorobenzene, 1-Butoxy-5,6-difluorobenzene, SCHEMBL9865813, SBB090399, AKOS015890364, CS-W016911, DA-18178, DS-16166, B5058, NS00006204
Application
1-Butoxy-2,3-Difluorobenzene is widely used as a versatile building block in organic synthesis, particularly in the development of fluorinated pharmaceuticals and agrochemicals. Its electron-withdrawing fluorine atoms enhance reactivity in cross-coupling reactions, making it valuable for creating complex aromatic systems. Researchers also employ it in material science for designing liquid crystals and specialty polymers with tailored properties. Additionally, it serves as a precursor in the synthesis of advanced ligands for catalytic applications.
Safety and Hazards
GHS Hazard Statements
- H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
- H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statements
- P273, P391, and P501
Hazard Classes and Categories
- Aquatic Acute 1 (100%)
- Aquatic Chronic 1 (100%)
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