3-Cyanophenylboronic Acid Pinacol Ester - CAS 214360-46-0
Catalog: |
BB016853 |
Product Name: |
3-Cyanophenylboronic Acid Pinacol Ester |
CAS: |
214360-46-0 |
Synonyms: |
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile; 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
IUPAC Name: | 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile |
Description: | 3-Cyanophenylboronic Acid Pinacol Ester (CAS# 214360-46-0) is a useful research chemical. |
Molecular Weight: | 229.08 |
Molecular Formula: | C13H16NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C#N |
InChI: | InChI=1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,1-4H3 |
InChI Key: | FIGQEPXOSAFKTA-UHFFFAOYSA-N |
Boiling Point: | 341 °C at 760 mmHg |
Melting Point: | 78-82 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.06 g/cm3 |
MDL: | MFCD03789262 |
LogP: | 1.85748 |
GHS Hazard Statement: | H315 (97.56%): 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-113480543-A | 2,6, 8-polysubstituted imidazo [1,2-a ] pyrazine and synthetic method and application thereof | 20210707 |
CN-112018255-A | Quantum dot light-emitting device | 20200907 |
WO-2021159993-A1 | Inhibitors of interleukin-1 receptor associated kinase (irak) /fms-like receptor tyrosine kinase (flt3), pharmaceutical products thereof, and methods thereof | 20200214 |
WO-2021155316-A1 | Compounds and uses thereof | 20200129 |
KR-20210061202-A | Benzonitrile-substituted Fused pyrimidine derivatives and their pharmaceutical use | 20191119 |
Complexity: | 329 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.1274089 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.1274089 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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