2-(Trifluoromethyl)pyridine-4-boronic Acid Pinacol Ester - CAS 1036990-42-7
Catalog: |
BB001203 |
Product Name: |
2-(Trifluoromethyl)pyridine-4-boronic Acid Pinacol Ester |
CAS: |
1036990-42-7 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine |
IUPAC Name: | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine |
Description: | 2-(Trifluoromethyl)pyridine-4-boronic Acid Pinacol Ester (CAS# 1036990-42-7) is a useful research chemical. |
Molecular Weight: | 273.06 |
Molecular Formula: | C12H15F3NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)C(F)(F)F |
InChI: | InChI=1S/C12H15BF3NO2/c1-10(2)11(3,4)19-13(18-10)8-5-6-17-9(7-8)12(14,15)16/h5-7H,1-4H3 |
InChI Key: | CUQOVOZIDNPNHO-UHFFFAOYSA-N |
Boiling Point: | 349.277 °C at 760 mmHg |
Density: | 1.227 g/cm3 |
Appearance: | Solid |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
MDL: | MFCD09607678 |
LogP: | 2.39960 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021195066-A2 | Kcnt1 inhibitors and methods of use | 20200323 |
WO-2021155316-A1 | Compounds and uses thereof | 20200129 |
WO-2021150574-A1 | Sulfonimidamide compounds as nlrp3 modulators | 20200122 |
WO-2021105474-A1 | New compounds for treatment of diseases related to dux4 expression | 20191129 |
CN-112625036-A | Compound with BRD4 inhibitory activity, preparation method and application thereof | 20191008 |
Complexity: | 330 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.1147934 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.1147934 |
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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