Benzylboronic Acid - CAS 4463-42-7
Catalog: |
BB025677 |
Product Name: |
Benzylboronic Acid |
CAS: |
4463-42-7 |
Synonyms: |
(phenylmethyl)boronic acid; benzylboronic acid |
IUPAC Name: | benzylboronic acid |
Description: | Benzylboronic Acid (CAS# 4463-42-7 ) is a useful research chemical. |
Molecular Weight: | 135.96 |
Molecular Formula: | C7H9O2B |
Canonical SMILES: | B(CC1=CC=CC=C1)(O)O |
InChI: | InChI=1S/C7H9BO2/c9-8(10)6-7-4-2-1-3-5-7/h1-5,9-10H,6H2 |
InChI Key: | HBWDWGMBZIFBQE-UHFFFAOYSA-N |
Boiling Point: | 296.5 ℃ at 760 mmHg |
Density: | 1.108 g/cm3 |
Appearance: | White to off-white crystalline solid or crystals |
MDL: | MFCD01114673 |
LogP: | 0.50750 |
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 |
WO-2021206305-A1 | Compound for organic electronic element, organic electronic element using same, and electronic device therefor | 20200408 |
WO-2021202775-A1 | N-(heterocyclyl and heterocyclylalkyl)-3-benzylpyridin-2-amine derivatives as sstr4 agonists | 20200331 |
WO-2021127743-A1 | Substituted hydroxystilbene compounds and derivatives synthesis and uses thereof | 20191223 |
CN-110790661-A | Method for converting benzyl borate compounds into phenylacetic acid and derivatives thereof by using carbon dioxide | 20191029 |
KR-20210030522-A | Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof | 20190909 |
PMID | Publication Date | Title | Journal |
21644527 | 20110701 | Chemoselective Suzuki coupling of diborylmethane for facile synthesis of benzylboronates | Organic letters |
15162213 | 20040607 | Synthesis of [11C]/(13C)amines via carbonylation followed by reductive amination | Organic & biomolecular chemistry |
Complexity: | 89.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.0695597 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.0695597 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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