9-Phenanthreneboronic Acid - CAS 68572-87-2
Catalog: |
BB033584 |
Product Name: |
9-Phenanthreneboronic Acid |
CAS: |
68572-87-2 |
Synonyms: |
9-phenanthrenylboronic acid; phenanthren-9-ylboronic acid |
IUPAC Name: | phenanthren-9-ylboronic acid |
Description: | Reactant involved in the synthesis of: Large polycyclic aromatic hydrocarbons (PAHs); Electron rich benzo[g,h,i]perylenes; FLAP protein inhibitors as antiinflammatory agents; Aminoisoquinolinones as PARP-2 selective inhibitorsReactant involved in homocoupling reactions May contain varying amounts of anhydride. |
Molecular Weight: | 222.05 |
Molecular Formula: | C14H11O2B |
Canonical SMILES: | B(C1=CC2=CC=CC=C2C3=CC=CC=C13)(O)O |
InChI: | InChI=1S/C14H11BO2/c16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,16-17H |
InChI Key: | JCDAUYWOHOLVMH-UHFFFAOYSA-N |
Boiling Point: | 479.505 °C at 760 mmHg |
Melting Point: | 165-170 °C |
Flash Point: | Not applicable |
Purity: | 98 % |
Density: | 1.268 g/cm3 |
Appearance: | White to beige powder or crystalline powder |
MDL: | MFCD00143524 |
LogP: | 1.67280 |
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 |
CN-113248477-A | Organic compound, organic electroluminescent material and organic electroluminescent element | 20210514 |
KR-20210031670-A | Organic light emitting device | 20210312 |
CN-112961140-A | Naphthoquinone heterocyclic compound and application thereof | 20210208 |
CN-112625042-A | Organic electroluminescent material and application thereof | 20201228 |
CN-112661761-A | Organic photoelectric material containing phenazine imidazole structure and application thereof | 20201223 |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.0852098 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.0852098 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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