1-Phenyl-1H-pyrazole-5-boronic Acid Pinacol Ester - CAS 1238702-58-3
Catalog: |
BB005757 |
Product Name: |
1-Phenyl-1H-pyrazole-5-boronic Acid Pinacol Ester |
CAS: |
1238702-58-3 |
Synonyms: |
1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
IUPAC Name: | 1-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
Description: | 1-Phenyl-1H-pyrazole-5-boronic Acid Pinacol Ester (CAS# 1238702-58-3) is a useful research chemical. |
Molecular Weight: | 270.13 |
Molecular Formula: | C15H19N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C3=CC=CC=C3 |
InChI: | InChI=1S/C15H19BN2O2/c1-14(2)15(3,4)20-16(19-14)13-10-11-17-18(13)12-8-6-5-7-9-12/h5-11H,1-4H3 |
InChI Key: | TZYVCRRPWKPCLH-UHFFFAOYSA-N |
Appearance: | Light red to brown solid |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 2.17150 |
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 |
EP-2925756-B1 | Imidazopyridine derivatives | 20121129 |
JP-2016500121-A | Imidazopyridine derivatives | 20121129 |
JP-6007339-B2 | Imidazopyridine derivatives | 20121129 |
US-2015259341-A1 | Imidazopyridine derivatives | 20121129 |
US-9315502-B2 | Imidazopyridine derivatives | 20121129 |
Complexity: | 340 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.1539580 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.1539580 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 36.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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