1-Ethylpyrazole-4-boronic Acid Pinacol Ester - CAS 847818-70-6
Catalog: |
BB037308 |
Product Name: |
1-Ethylpyrazole-4-boronic Acid Pinacol Ester |
CAS: |
847818-70-6 |
Synonyms: |
1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
IUPAC Name: | 1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
Description: | 1-Ethylpyrazole-4-boronic Acid Pinacol Ester (CAS# 847818-70-6) is a useful research chemical. |
Molecular Weight: | 222.09 |
Molecular Formula: | C11H19N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC |
InChI: | InChI=1S/C11H19BN2O2/c1-6-14-8-9(7-13-14)12-15-10(2,3)11(4,5)16-12/h7-8H,6H2,1-5H3 |
InChI Key: | UGCRHVPUHAXAAE-UHFFFAOYSA-N |
Boiling Point: | 322.6 °C at 760 mmHg |
Melting Point: | 44-49 °C |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.04 g/cm3 |
Appearance: | Solid |
MDL: | MFCD09864188 |
LogP: | 1.20220 |
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 |
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Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.1539580 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.1539580 |
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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