5-(Methylsulfonyl)pyridine-3-boronic Acid - CAS 913836-01-8
Catalog: |
BB040151 |
Product Name: |
5-(Methylsulfonyl)pyridine-3-boronic Acid |
CAS: |
913836-01-8 |
Synonyms: |
(5-methylsulfonyl-3-pyridinyl)boronic acid; (5-methylsulfonylpyridin-3-yl)boronic acid |
IUPAC Name: | (5-methylsulfonylpyridin-3-yl)boronic acid |
Description: | 5-(Methylsulfonyl)pyridine-3-boronic Acid (CAS# 913836-01-8) is a useful research chemical. |
Molecular Weight: | 201.01 |
Molecular Formula: | C6H8NO4SB |
Canonical SMILES: | B(C1=CC(=CN=C1)S(=O)(=O)C)(O)O |
InChI: | InChI=1S/C6H8BNO4S/c1-13(11,12)6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3 |
InChI Key: | YGXNPQDXWDCWET-UHFFFAOYSA-N |
Boiling Point: | 523.8 °C at 760 mmHg |
Density: | 1.47 g/cm3 |
Appearance: | Solid |
LogP: | -0.75430 |
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-2019189555-A1 | Heterocyclic compound | 20180329 |
CN-111918863-A | Heterocyclic compounds | 20180329 |
KR-20200138306-A | Heterocyclic compound | 20180329 |
EP-3782986-A1 | Heterocyclic compound | 20180329 |
JP-WO2019189555-A1 | Heterocyclic compound | 20180329 |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.0267091 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.0267091 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 95.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Boronic Acids and Esters
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS