3,4,5-Trifluorophenylboronic Acid - CAS 143418-49-9
Catalog: |
BB009597 |
Product Name: |
3,4,5-Trifluorophenylboronic Acid |
CAS: |
143418-49-9 |
Synonyms: |
(3,4,5-trifluorophenyl)boronic acid; (3,4,5-trifluorophenyl)boronic acid |
IUPAC Name: | (3,4,5-trifluorophenyl)boronic acid |
Description: | Reactant involved in: Preparation of phenylboronic catechol esters and determination of Lewis acidity; Synthesis of benzopyranone derivatives as GABAA receptor modulators; Synthesis of multisubstituted olefins and conjugate dienes; Suzuki cross-coupling reactions; Preparation of fluorinated aromatic poly(ether-amide)s. |
Molecular Weight: | 175.90 |
Molecular Formula: | C6H4F3O2B |
Canonical SMILES: | B(C1=CC(=C(C(=C1)F)F)F)(O)O |
InChI: | InChI=1S/C6H4BF3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H |
InChI Key: | UHDDEIOYXFXNNJ-UHFFFAOYSA-N |
Boiling Point: | 263.6 ± 50.0 °C (predicted) |
Melting Point: | 290-295 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 98 % |
Density: | 1.44 g/cm3 |
Appearance: | Tan powder |
Storage: | Keep in dark place. Sealed in dry. Room temperature. |
MDL: | MFCD02093069 |
LogP: | -0.21630 |
GHS Hazard Statement: | H302 (30%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.0256440 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.0256440 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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