4-(tert-Butoxy)phenylboronic Acid - CAS 176672-49-4
Catalog: |
BB013239 |
Product Name: |
4-(tert-Butoxy)phenylboronic Acid |
CAS: |
176672-49-4 |
Synonyms: |
[4-[(2-methylpropan-2-yl)oxy]phenyl]boronic acid; [4-[(2-methylpropan-2-yl)oxy]phenyl]boronic acid |
IUPAC Name: | [4-[(2-methylpropan-2-yl)oxy]phenyl]boronic acid |
Description: | 4-(tert-Butoxy)phenylboronic Acid (CAS# 176672-49-4) is a compound used in the preparation of nitrophenylphenol via cross-coupling reaction of nitrohalobenzenes with phenylboronic acids and deprotection. |
Molecular Weight: | 194.04 |
Molecular Formula: | C10H15O3B |
Canonical SMILES: | B(C1=CC=C(C=C1)OC(C)(C)C)(O)O |
InChI: | InChI=1S/C10H15BO3/c1-10(2,3)14-9-6-4-8(5-7-9)11(12)13/h4-7,12-13H,1-3H3 |
InChI Key: | OKHCKPPOCZWHRN-UHFFFAOYSA-N |
Boiling Point: | 328.1 °C at 760 mmHg |
Density: | 1.08 g/cm3 |
LogP: | 0.54370 |
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 |
KR-20200138705-A | Organic light emitting diode display | 20201203 |
KR-20190126271-A | Organic light emitting diode display and method for manufacturing the same | 20191101 |
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Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.1114245 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.1114245 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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