Quinoxaline-6-boronic Acid Pinacol Ester - CAS 1167418-13-4
Catalog: |
BB003808 |
Product Name: |
Quinoxaline-6-boronic Acid Pinacol Ester |
CAS: |
1167418-13-4 |
Synonyms: |
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline; 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline |
IUPAC Name: | 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline |
Description: | Quinoxaline-6-boronic Acid Pinacol Ester (CAS# 1167418-13-4) is a useful research chemical. |
Molecular Weight: | 256.11 |
Molecular Formula: | C14H17N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=NC=CN=C3C=C2 |
InChI: | InChI=1S/C14H17BN2O2/c1-13(2)14(3,4)19-15(18-13)10-5-6-11-12(9-10)17-8-7-16-11/h5-9H,1-4H3 |
InChI Key: | ZYWICCYXTGRUNM-UHFFFAOYSA-N |
Flash Point: | 230.0 °F |
Purity: | 97 % |
Density: | 1.123 g/mL at 25 °C |
LogP: | 1.92900 |
Refractive Index: | n20/D 1.560 |
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-113264937-A | 4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof | 20210608 |
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Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.1383080 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.1383080 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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