3-Tolylboronic Acid - CAS 17933-03-8
Catalog: |
BB013566 |
Product Name: |
3-Tolylboronic Acid |
CAS: |
17933-03-8 |
Synonyms: |
(3-methylphenyl)boronic acid; (3-methylphenyl)boronic acid |
IUPAC Name: | (3-methylphenyl)boronic acid |
Description: | 3-Tolylboronic Acid (CAS# 17933-03-8) is a useful research chemical, a reagent for suzuki coupling reactions. |
Molecular Weight: | 135.96 |
Molecular Formula: | C7H9O2B |
Canonical SMILES: | B(C1=CC(=CC=C1)C)(O)O |
InChI: | InChI=1S/C7H9BO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5,9-10H,1H3 |
InChI Key: | BJQCPCFFYBKRLM-UHFFFAOYSA-N |
Boiling Point: | 290.4 °C at 760 mmHg |
Melting Point: | 160-162 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 97 % |
Density: | 1.1 g/cm3 |
MDL: | MFCD00040198 |
LogP: | -0.32520 |
GHS Hazard Statement: | H315 (95.83%): 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-113511970-A | Synthetic method of aryl-substituted alkyne | 20210610 |
CN-112877372-A | Process for preparing tertiary alpha-aryl cyclic ketones | 20210218 |
CN-112980827-A | Metal organic framework material immobilized glucose oxidase and preparation method and application thereof | 20210204 |
CN-112679470-A | (E) -1-phenyl-4-alkenyl-1H-pyrazole compound and medical application thereof | 20210106 |
CN-112687878-A | Electrochemical device and electronic device | 20201225 |
PMID | Publication Date | Title | Journal |
21319772 | 20110307 | Synthesis of boroxine-linked aluminum complexes | Inorganic chemistry |
21588247 | 20100703 | 1-Methyl-3,5-bis-(3-methyl-phen-yl)benzene | Acta crystallographica. Section E, Structure reports online |
Complexity: | 106 |
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: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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