6-Ethoxynaphthalene-2-boronic Acid - CAS 352525-98-5
Catalog: |
BB022563 |
Product Name: |
6-Ethoxynaphthalene-2-boronic Acid |
CAS: |
352525-98-5 |
Synonyms: |
(6-ethoxy-2-naphthalenyl)boronic acid; (6-ethoxynaphthalen-2-yl)boronic acid |
IUPAC Name: | (6-ethoxynaphthalen-2-yl)boronic acid |
Description: | 6-Ethoxynaphthalene-2-boronic Acid (CAS# 352525-98-5) is a useful research chemical. |
Molecular Weight: | 216.04 |
Molecular Formula: | C12H13O3B |
Canonical SMILES: | B(C1=CC2=C(C=C1)C=C(C=C2)OCC)(O)O |
InChI: | InChI=1S/C12H13BO3/c1-2-16-12-6-4-9-7-11(13(14)15)5-3-10(9)8-12/h3-8,14-15H,2H2,1H3 |
InChI Key: | INXXVGFSXYJGHI-UHFFFAOYSA-N |
Boiling Point: | 423.2 ℃ at 760 mmHg |
Melting Point: | 252-255 ℃ (lit.) |
Flash Point: | Not applicable |
Density: | 1.2 g/cm3 |
MDL: | MFCD03427009 |
LogP: | 0.91830 |
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-111559990-A | Micromolecular oxathiazine derivative and application thereof | 20200529 |
CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 20200529 |
JP-2020019766-A | Compound and method for producing the same | 20180723 |
JP-2020021063-A | Optical filter and display device | 20180723 |
WO-2020022134-A1 | Compound and method for producing same | 20180723 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.0957744 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.0957744 |
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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