2,3-Difluorophenylboronic Acid - CAS 121219-16-7
Catalog: |
BB005114 |
Product Name: |
2,3-Difluorophenylboronic Acid |
CAS: |
121219-16-7 |
Synonyms: |
(2,3-difluorophenyl)boronic acid; (2,3-difluorophenyl)boronic acid |
IUPAC Name: | (2,3-difluorophenyl)boronic acid |
Description: | Reactant for: Suzuki-Miyaura cross-coupling reactions; Preparation of biologically and pharmacologically active molecules. |
Molecular Weight: | 157.91 |
Molecular Formula: | C6H5F2O2B |
Canonical SMILES: | B(C1=C(C(=CC=C1)F)F)(O)O |
InChI: | InChI=1S/C6H5BF2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,10-11H |
InChI Key: | SZYXKFKWFYUOGZ-UHFFFAOYSA-N |
Boiling Point: | 274.8 °C / 760 mmHg |
Melting Point: | 95 °C (dec.) (lit.) |
Purity: | ≥ 95 % |
Density: | 1.35 g/cm3 |
Storage: | Keep in dark place. Sealed in dry. Room temperature. |
MDL: | MFCD01863170 |
LogP: | -0.35540 |
GHS Hazard Statement: | H302 (11.11%): 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 |
CN-112645924-A | Compound, liquid crystal composition and display device | 20201225 |
CN-111675626-A | Ionone alkaloid derivative and medical application thereof | 20200319 |
WO-2021173917-A1 | Inhibitors of receptor interacting protein kinase i for the treatment of disease | 20200228 |
CN-111171721-A | Ceramizable ablation-resistant coating and preparation method thereof | 20200122 |
CN-111171721-B | Ceramizable ablation-resistant coating and preparation method thereof | 20200122 |
PMID | Publication Date | Title | Journal |
22902933 | 20121101 | Molecular structure investigation and spectroscopic studies on 2,3-difluorophenylboronic acid: a combined experimental and theoretical analysis | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 134 |
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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