2,6-Difluorophenylboronic Acid - CAS 162101-25-9
Catalog: |
BB011834 |
Product Name: |
2,6-Difluorophenylboronic Acid |
CAS: |
162101-25-9 |
Synonyms: |
(2,6-difluorophenyl)boronic acid; (2,6-difluorophenyl)boronic acid |
IUPAC Name: | (2,6-difluorophenyl)boronic acid |
Description: | 2,6-Difluorophenylboronic acid can be used: As a substrate in the model reaction of Suzuki-Miyaura coupling with 4-chloro-3-methylanisole; To prepare 4-bromo-2,3',5',6-tetrafluorobiphenyl, a key intermediate for the synthesis of 2,6-difluorinated oligophenyls applicable in organic semiconductors; To prepare ethyl 4-(2,6-difluorophenyl)nicotinate, a key intermediate for the synthesis of 4-phenyl pyridine based potent TGR5 agonists. |
Molecular Weight: | 157.91 |
Molecular Formula: | C6H5F2O2B |
Canonical SMILES: | B(C1=C(C=CC=C1F)F)(O)O |
InChI: | InChI=1S/C6H5BF2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H |
InChI Key: | DBZAICSEFBVFHL-UHFFFAOYSA-N |
Boiling Point: | 193.1 °C at 760 mmHg |
Melting Point: | 147-149 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 98 % |
Density: | 1.123 g/cm3 |
MDL: | MFCD00792436 |
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 |
WO-2015189554-A1 | Complexes | 20140612 |
US-2015266875-A1 | Tyk2 inhibitors and uses thereof | 20140228 |
WO-2015131080-A1 | Tyk2 inhibitors and uses thereof | 20140228 |
US-2015191483-A1 | Pyrrolidinyl sulfone rorgamma modulators | 20140106 |
WO-2015103509-A1 | Pyrrolidinyl sulfone derivatives and their use as ror gamma modulators | 20140106 |
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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