4-Chloropyridine-3-boronic Acid Pinacol Ester - CAS 452972-15-5
Catalog: |
BB025829 |
Product Name: |
4-Chloropyridine-3-boronic Acid Pinacol Ester |
CAS: |
452972-15-5 |
Synonyms: |
4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 4-Chloropyridine-3-boronic Acid Pinacol Ester (CAS# 452972-15-5) is a useful research chemical. |
Molecular Weight: | 239.51 |
Molecular Formula: | C11H15ClNO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CN=C2)Cl |
InChI: | InChI=1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)8-7-14-6-5-9(8)13/h5-7H,1-4H3 |
InChI Key: | KTLJNRVZMVZXMR-UHFFFAOYSA-N |
Boiling Point: | 326.8 °C at 760 mmHg |
Density: | 1.14 g/cm3 |
Appearance: | Solid |
MDL: | MFCD06798247 |
LogP: | 2.03420 |
GHS Hazard Statement: | H315 (13.64%): 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 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.0884366 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.0884366 |
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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