2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzoic acid

CAS Registry Number®

1400976-18-2

CAS Name

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzoic acid

Molecular Formula

C14H16BF3O4

Molecular Mass

316.08

Cite this Page

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1400976-18-2 (retrieved 2024-11-27) (CAS RN: 1400976-18-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    133.3-136.4 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H16BF3O4/c1-12(2)13(3,4)22-15(21-12)10-7-8(14(16,17)18)5-6-9(10)11(19)20/h5-7H,1-4H3,(H,19,20)

InChIKey

InChIKey=SWCOUWIBHDXHEY-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(B2OC(C)(C)C(C)(C)O2)C=C(C(F)(F)F)C=C1

Canonical SMILES

O=C(O)C1=CC=C(C=C1B2OC(C)(C)C(O2)(C)C)C(F)(F)F

Other Names for this Substance

  • Benzoic acid, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-
  • 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzoic acid

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