5-(Trifluoromethyl)pyridine-3-boronic Acid Pinacol Ester - CAS 1084953-47-8
Catalog: |
BB002276 |
Product Name: |
5-(Trifluoromethyl)pyridine-3-boronic Acid Pinacol Ester |
CAS: |
1084953-47-8 |
Synonyms: |
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine; 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine |
IUPAC Name: | 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine |
Description: | 5-(Trifluoromethyl)pyridine-3-boronic Acid Pinacol Ester (CAS# 1084953-47-8) is a useful research chemical. |
Molecular Weight: | 273.06 |
Molecular Formula: | C12H15F3NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)C(F)(F)F |
InChI: | InChI=1S/C12H15BF3NO2/c1-10(2)11(3,4)19-13(18-10)9-5-8(6-17-7-9)12(14,15)16/h5-7H,1-4H3 |
InChI Key: | LFZDWNHGQKQVIG-UHFFFAOYSA-N |
Boiling Point: | 357.889 °C at 760 mmHg |
Density: | 1.227 g/cm3 |
Appearance: | Solid |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD12198142 |
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+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 |
WO-2021066922-A1 | Antiviral heterocyclic compounds | 20191004 |
US-2020123165-A1 | Kinase inhibitors | 20181017 |
AU-2018257203-A1 | Novel tetrahydronaphthyl urea derivatives | 20170427 |
CA-3061302-A1 | Novel tetrahydronaphthyl urea derivative | 20170427 |
CN-110831926-A | Novel tetralinyl urea derivatives | 20170427 |
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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