5-Isothiazoleboronic Acid Pinacol Ester - CAS 1045809-78-6
Catalog: |
BB001414 |
Product Name: |
5-Isothiazoleboronic Acid Pinacol Ester |
CAS: |
1045809-78-6 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isothiazole; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-thiazole |
Description: | 5-Isothiazoleboronic Acid Pinacol Ester (CAS# 1045809-78-6) is a useful research chemical. |
Molecular Weight: | 211.09 |
Molecular Formula: | C9H14NO2SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=NS2 |
InChI: | InChI=1S/C9H14BNO2S/c1-8(2)9(3,4)13-10(12-8)7-5-6-11-14-7/h5-6H,1-4H3 |
InChI Key: | UPECZVDBUMIIIL-UHFFFAOYSA-N |
Boiling Point: | 234.435 °C at 760 mmHg |
Density: | 1.121 g/cm3 |
Appearance: | Off-white powder |
Storage: | Sealed in dry, Store in freezer, under -20 °C |
LogP: | 1.44230 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
BR-112017009207-A2 | piperidinylpyrazolopyrimidinones and their use | 20141103 |
EP-3215505-B1 | Piperidinylpyrazolopyrimidinones and their use | 20141103 |
JP-2017533235-A | Piperidinylpyrazolopyrimidinones and their use | 20141103 |
RU-2713937-C2 | Piperidinylpyrazolopyrimidinones and use thereof | 20141103 |
TW-201627308-A | Piperidinylpyrazolopyrimidinone and use thereof | 20141103 |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.0838300 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.0838300 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 59.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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