4-Hydroxyphenylboronic Acid Pinacol Ester - CAS 269409-70-3
Catalog: |
BB019412 |
Product Name: |
4-Hydroxyphenylboronic Acid Pinacol Ester |
CAS: |
269409-70-3 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol; 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
IUPAC Name: | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
Description: | Widely used in Suzuki coupling chemistry. |
Molecular Weight: | 220.07 |
Molecular Formula: | C12H17O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)O |
InChI: | InChI=1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8,14H,1-4H3 |
InChI Key: | BICZJRAGTCRORZ-UHFFFAOYSA-N |
Boiling Point: | 333.8 °C at 760 mmHg |
Melting Point: | 113-117 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.08 g/cm3 |
MDL: | MFCD02093756 |
LogP: | 1.69140 |
GHS Hazard Statement: | H315 (97.96%): 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-113209131-A | Organic-inorganic dual-drug hybrid anti-tumor molecule, preparation method and application thereof | 20210425 |
CN-113214327-A | Functional molecule with anti-tumor activity, preparation method and application thereof | 20210425 |
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CN-112430591-A | Nano polymer-double enzyme compound, preparation thereof and application thereof in synthesis of (R) -2-hydroxy-4-phenyl ethyl butyrate | 20201124 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.1270746 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.1270746 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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