2,6-Dichloropyridine-4-boronic Acid Pinacol Ester - CAS 408492-27-3
Catalog: |
BB024690 |
Product Name: |
2,6-Dichloropyridine-4-boronic Acid Pinacol Ester |
CAS: |
408492-27-3 |
Synonyms: |
2,6-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2,6-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 2,6-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 2,6-Dichloropyridine-4-boronic Acid Pinacol Ester (CAS# 408492-27-3) is a useful research chemical. |
Molecular Weight: | 273.95 |
Molecular Formula: | C11H14Cl2NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC(=C2)Cl)Cl |
InChI: | InChI=1S/C11H14BCl2NO2/c1-10(2)11(3,4)17-12(16-10)7-5-8(13)15-9(14)6-7/h5-6H,1-4H3 |
InChI Key: | PEFDHAOFDBNZEQ-UHFFFAOYSA-N |
Boiling Point: | 373.232 °C at 760 mmHg |
Melting Point: | 117-119 °C |
Flash Point: | Not applicable |
Purity: | 95 % |
Density: | 1.244 g/cm3 |
Storage: | 2-8 °C |
LogP: | 2.68760 |
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-2020255022-A1 | Combination of hepatitis b virus (hbv) vaccines and aminopyridine derivatives as hpk1 inhibitors | 20190618 |
WO-2020193511-A1 | Hpk1 inhibitors | 20190326 |
TW-202102488-A | Hpk1 inhibitors | 20190326 |
CN-111377852-A | Derivative and organic EL element using same | 20181228 |
JP-2020105131-A | Chrysene derivative and organic EL device using the same | 20181228 |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.0494642 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.0494642 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 31.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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