1-(2,2-Diethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole - CAS 1256359-25-7
Catalog: |
BB053468 |
Product Name: |
1-(2,2-Diethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole |
CAS: |
1256359-25-7 |
Synonyms: |
1-(2,2-Diethoxyethyl)pyrazole-4-boronic acid, pinacol ester |
IUPAC Name: | 1-(2,2-diethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
Molecular Weight: | 310.20 |
Molecular Formula: | C15H27BN2O4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC(OCC)OCC |
InChI: | InChI=1S/C15H27BN2O4/c1-7-19-13(20-8-2)11-18-10-12(9-17-18)16-21-14(3,4)15(5,6)22-16/h9-10,13H,7-8,11H2,1-6H3 |
InChI Key: | XOJUUYBIPJNLCT-UHFFFAOYSA-N |
Purity: | 96% |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 346 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.2063875 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.2063875 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 54.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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