4-(Dimethylamino)phenylboronic Acid - CAS 28611-39-4
Catalog: |
BB019891 |
Product Name: |
4-(Dimethylamino)phenylboronic Acid |
CAS: |
28611-39-4 |
Synonyms: |
[4-(dimethylamino)phenyl]boronic acid; [4-(dimethylamino)phenyl]boronic acid |
IUPAC Name: | [4-(dimethylamino)phenyl]boronic acid |
Description: | 4-(Dimethylamino)phenylboronic Acid can be used as reactant/reagent in preparation of biaryls via palladium-catalyzed Suzuki-Miyaura coupling of nitroarenes with boronic acids. |
Molecular Weight: | 165.00 |
Molecular Formula: | C8H12NO2B |
Canonical SMILES: | B(C1=CC=C(C=C1)N(C)C)(O)O |
InChI: | InChI=1S/C8H12BNO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6,11-12H,1-2H3 |
InChI Key: | RIIPFHVHLXPMHQ-UHFFFAOYSA-N |
Boiling Point: | 329.9 °C at 760 mmHg |
Density: | 1.12 g/cm3 |
Solubility: | Sparingly soluble in water. (~2.5%) |
Appearance: | White to green gray to blue-gray crystalline powder |
MDL: | MFCD01074642 |
LogP: | -0.56760 |
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 |
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Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.0961088 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.0961088 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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