3,5-Difluorophenylboronic Acid - CAS 156545-07-2
Catalog: |
BB011229 |
Product Name: |
3,5-Difluorophenylboronic Acid |
CAS: |
156545-07-2 |
Synonyms: |
(3,5-difluorophenyl)boronic acid; (3,5-difluorophenyl)boronic acid |
IUPAC Name: | (3,5-difluorophenyl)boronic acid |
Description: | Reactant involved in: Synthesis of honokiol analogs as angiogenesis inhibitors; Homo-coupling reactions; Suzuki-Miyaura cross-coupling reactions; Enantioselective borane reduction of trifluoroacetophenone. |
Molecular Weight: | 157.91 |
Molecular Formula: | C6H5F2O2B |
Canonical SMILES: | B(C1=CC(=CC(=C1)F)F)(O)O |
InChI: | InChI=1S/C6H5BF2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H |
InChI Key: | QWQBQRYFWNIDOC-UHFFFAOYSA-N |
Boiling Point: | 266.9 °C / 760 mmHg |
Melting Point: | 210-217 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.35 g/cm3 |
Storage: | Keep in dark place. Sealed in dry. Room temperature. |
MDL: | MFCD01318138 |
LogP: | -0.35540 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.0350659 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.0350659 |
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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