4-(Hydroxymethyl)phenylboronic Acid Pinacol Ester - CAS 302348-51-2
Catalog: |
BB020495 |
Product Name: |
4-(Hydroxymethyl)phenylboronic Acid Pinacol Ester |
CAS: |
302348-51-2 |
Synonyms: |
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol; [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
IUPAC Name: | [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
Description: | The synthesis of 4-Hydroxymethylphenylboronic acid, pinacol ester by ring-opening polymerization routes. They play an important role in biomedical applications. |
Molecular Weight: | 234.10 |
Molecular Formula: | C13H19O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CO |
InChI: | InChI=1S/C13H19BO3/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8,15H,9H2,1-4H3 |
InChI Key: | GZZBZWITJNATOD-UHFFFAOYSA-N |
Boiling Point: | 353.3 °C at 760 mmHg |
Melting Point: | 74-80 °C |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.07 g/cm3 |
Storage: | 2-8 °C |
MDL: | MFCD09837617 |
LogP: | 1.47810 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
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Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.1427246 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.1427246 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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