2-Nitro-5-pyridineboronic Acid Pinacol Ester - CAS 1073371-93-3
Catalog: |
BB002059 |
Product Name: |
2-Nitro-5-pyridineboronic Acid Pinacol Ester |
CAS: |
1073371-93-3 |
Synonyms: |
2-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 2-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 2-Nitro-5-pyridineboronic Acid Pinacol Ester (CAS# 1073371-93-3) is a useful research chemical. |
Molecular Weight: | 250.06 |
Molecular Formula: | C11H15N2O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C11H15BN2O4/c1-10(2)11(3,4)18-12(17-10)8-5-6-9(13-7-8)14(15)16/h5-7H,1-4H3 |
InChI Key: | KEOFPCPNACMWHS-UHFFFAOYSA-N |
Boiling Point: | 392.8 °C at 760 mmHg |
Melting Point: | 155-159 °C |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.19 g/cm3 |
MDL: | MFCD08063079 |
LogP: | 1.81220 |
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 |
CN-110818683-A | 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof | 20180810 |
WO-2019145293-A1 | Diagnostic compositions for pet imaging, a method for manufacturing the diagnostic composition and its use in diagnostics | 20180124 |
WO-2019145294-A1 | Novel method of preparing an imaging compound | 20180124 |
AU-2019210976-A1 | Diagnostic compositions for pet imaging, a method for manufacturing the diagnostic composition and its use in diagnostics | 20180124 |
AU-2019212170-A1 | Novel method of preparing an imaging compound | 20180124 |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.1124871 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.1124871 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 77.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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