1257641-06-7

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1257641-06-7 Structure

Identification	Back Directory
[Name] 2-(4-Fluorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
[CAS] 1257641-06-7
[Synonyms] 4-Fluorophenylboronic acid MIDA ester 4-Fluorophenylboronic acid MIDA ester 97% 2-(4-Fluorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione 2-(4-Fluorophenyl)dihydro-6-methyl-4H-1,3,6,2-dioxazaborocine-4,8(5H)-dione 4H-1,3,6,2-Dioxazaborocine-4,8(5H)-dione, 2-(4-fluorophenyl)dihydro-6-methyl-
[Molecular Formula] C11H11BFNO4
[MDL Number] MFCD11215232
[MOL File] 1257641-06-7.mol
[Molecular Weight] 251.02

Chemical Properties	Back Directory
[Melting point ] 231-236 °C
[Boiling point ] 308.704±52.00 °C(Press: 760.00 Torr)(predicted)
[density ] 1.298±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[storage temp. ] 2-8°C, protect from light
[form ] powder
[pka] 3.644±0.20(predicted)
[Appearance] White to off-white Solid
[InChI] 1S/C11H11BFNO4/c1-14-6-10(15)17-12(18-11(16)7-14)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3
[InChIKey] VRWBUFHGNOFGKX-UHFFFAOYSA-N
[SMILES] CN1CC(=O)OB(OC(=O)C1)c2ccc(F)cc2

Safety Data	Back Directory
[Hazard Codes ] Xn
[Risk Statements ] 22
[WGK Germany ] 3
[Storage Class] 13 - Non Combustible Solids
[Hazard Classifications] Acute Tox. 4 Oral

Hazard Information	Back Directory
[Uses] Suzuki Cross-Coupling with MIDA Boronates

Spectrum Detail	Back Directory
[Spectrum Detail] 2-(4-Fluorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione(1257641-06-7)¹HNMR

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