2-Benzofuranboronic Acid - CAS 98437-24-2
Catalog: |
BB042163 |
Product Name: |
2-Benzofuranboronic Acid |
CAS: |
98437-24-2 |
Synonyms: |
2-benzofuranylboronic acid; 1-benzofuran-2-ylboronic acid |
IUPAC Name: | 1-benzofuran-2-ylboronic acid |
Description: | 2-Benzofuranboronic Acid (CAS# 98437-24-2) is a reagent used in the facile preparation of highly-functionalized, nitrogen-bearing diarylmethanes. |
Molecular Weight: | 161.95 |
Molecular Formula: | C8H7O3B |
Canonical SMILES: | B(C1=CC2=CC=CC=C2O1)(O)O |
InChI: | InChI=1S/C8H7BO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H |
InChI Key: | PKRRNTJIHGOMRC-UHFFFAOYSA-N |
Boiling Point: | 340.4 °C at 760 mmHg |
Melting Point: | 114-116 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.31 g/cm3 |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
MDL: | MFCD00236019 |
LogP: | 0.11260 |
GHS Hazard Statement: | H302 (18.18%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21936546 | 20111104 | Synthesis of functionalized cinnamaldehyde derivatives by an oxidative Heck reaction and their use as starting materials for preparation of Mycobacterium tuberculosis 1-deoxy-D-xylulose-5-phosphate reductoisomerase inhibitors | The Journal of organic chemistry |
18983140 | 20081127 | Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase | Journal of medicinal chemistry |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.0488242 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.0488242 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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