4-(Methylthio)phenylboronic Acid - CAS 98546-51-1
Catalog: |
BB042182 |
Product Name: |
4-(Methylthio)phenylboronic Acid |
CAS: |
98546-51-1 |
Synonyms: |
[4-(methylthio)phenyl]boronic acid; (4-methylsulfanylphenyl)boronic acid |
IUPAC Name: | (4-methylsulfanylphenyl)boronic acid |
Description: | Reactant involved in: Suzuki-Miyaura cross coupling reactions with 2-aryl-1-bromo-1-nitroethenes or alkynyl bromides; Addition reactions with naphthyridine N-oxides; Oxyarylation of Heck reaction intermediates for synthesis of THF derivatives; Sulfoxidation reactions; Copper-catalyzed halogenation. |
Molecular Weight: | 168.02 |
Molecular Formula: | C7H9O2SB |
Canonical SMILES: | B(C1=CC=C(C=C1)SC)(O)O |
InChI: | InChI=1S/C7H9BO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3 |
InChI Key: | IVUHTLFKBDDICS-UHFFFAOYSA-N |
Boiling Point: | 333.5 °C at 760 mmHg |
Melting Point: | 210-214 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.22 g/cm3 |
MDL: | MFCD00093410 |
LogP: | 0.08830 |
GHS Hazard Statement: | H315 (98.99%): 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-113214318-A | (3- (1H-1,2, 3-triazole) phenyl) phosphoric acid derivative and preparation method and application thereof | 20210514 |
WO-2021123307-A2 | Polypeptides having proteolytic activity and use thereof | 20191220 |
WO-2021115912-A1 | Formulations comprising a hydrophobically modified polyethyleneimine and one or more enzymes | 20191209 |
WO-2021107872-A1 | Composites, methods and uses thereof | 20191126 |
WO-2021074430-A1 | Storage-stable hydrolase containing liquids | 20191018 |
PMID | Publication Date | Title | Journal |
21754734 | 20110601 | 2-[4-(Methyl-sulfan-yl)phen-yl]naphtho[1,8-de][1,3,2]diaza-borinane | Acta crystallographica. Section E, Structure reports online |
Complexity: | 113 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.0416309 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.0416309 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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