3-Fluoro-4-formylphenylboronic acid - CAS 248270-25-9
Catalog: |
BB018635 |
Product Name: |
3-Fluoro-4-formylphenylboronic acid |
CAS: |
248270-25-9 |
Synonyms: |
(3-fluoro-4-formylphenyl)boronic acid |
IUPAC Name: | (3-fluoro-4-formylphenyl)boronic acid |
Description: | Reactant for: Preparation of MIDA boronates for Suzuki-Miyaura cross-coupling reactions; Preparation of pyrazolopyrimidinamine derivatives as tyrosine and phosphinositide kinase inhibitors. |
Molecular Weight: | 167.93 |
Molecular Formula: | C7H6BFO3 |
Canonical SMILES: | B(C1=CC(=C(C=C1)C=O)F)(O)O |
InChI: | InChI=1S/C7H6BFO3/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-4,11-12H |
InChI Key: | NZNRMUVHUVCIBR-UHFFFAOYSA-N |
Boiling Point: | 349.3 ℃ at 760 mmHg |
Melting Point: | 249-250 ℃ |
Purity: | 97 % |
Density: | 1.33 g/cm3 |
Appearance: | White to light yellow crystal powde |
MDL: | MFCD02093051 |
LogP: | -0.68200 |
GHS Hazard Statement: | H315 (97.83%): 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 |
CN-112608320-A | Piperidine compound and preparation method and medical application thereof | 20200116 |
WO-2021113679-A1 | Dimeric compounds as sting agonists | 20191206 |
US-2021077385-A1 | Wet-packed soft hydrogel ocular inserts | 20190918 |
WO-2021053586-A1 | Wet-packed soft hydrogel ocular inserts | 20190918 |
WO-2021055295-A1 | Brd9 bifunctional degraders and their methods of use | 20190916 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.0394024 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.0394024 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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