5-Formyl-2-thienylboronic acid - CAS 4347-33-5
Catalog: |
BB025415 |
Product Name: |
5-Formyl-2-thienylboronic acid |
CAS: |
4347-33-5 |
Synonyms: |
(5-formylthiophen-2-yl)boronic acid |
IUPAC Name: | (5-formylthiophen-2-yl)boronic acid |
Description: | 5-Formyl-2-thienylboronic acid (CAS# 4347-33-5) is a useful research chemical. |
Molecular Weight: | 155.97 |
Molecular Formula: | C5H5BO3S |
Canonical SMILES: | B(C1=CC=C(S1)C=O)(O)O |
InChI: | InChI=1S/C5H5BO3S/c7-3-4-1-2-5(10-4)6(8)9/h1-3,8-9H |
InChI Key: | DEQOVKFWRPOPQP-UHFFFAOYSA-N |
Boiling Point: | 395.1 °C at 760 mmHg |
Melting Point: | 132-135 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 96 % |
Density: | 1.41 g/cm3 |
MDL: | MFCD02093666 |
LogP: | -0.75960 |
GHS Hazard Statement: | H302 (36.36%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
19731939 | 20091008 | Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors | Journal of medicinal chemistry |
19441360 | 20090101 | Coupling reaction on gold nanoparticle to yield polythiophene/gold nanoparticle alternate network film | Journal of nanoscience and nanotechnology |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.0052454 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.0052454 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 85.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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