3,4,5-Trichlorophenylboronic Acid - CAS 862248-93-9
Catalog: |
BB037861 |
Product Name: |
3,4,5-Trichlorophenylboronic Acid |
CAS: |
862248-93-9 |
Synonyms: |
(3,4,5-trichlorophenyl)boronic acid; (3,4,5-trichlorophenyl)boronic acid |
IUPAC Name: | (3,4,5-trichlorophenyl)boronic acid |
Description: | 3,4,5-Trichlorophenylboronic Acid (CAS# 862248-93-9) is a useful research chemical. |
Molecular Weight: | 225.26 |
Molecular Formula: | C6H4Cl3O2B |
Canonical SMILES: | B(C1=CC(=C(C(=C1)Cl)Cl)Cl)(O)O |
InChI: | InChI=1S/C6H4BCl3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H |
InChI Key: | KTEXVCMJBYWOSG-UHFFFAOYSA-N |
Boiling Point: | 379.1 ℃ at 760 mmHg |
Density: | 1.6 g/cm3 |
MDL: | MFCD03095126 |
LogP: | 1.32660 |
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-2021071802-A1 | Aryl heterocyclic compounds as kv1.3 potassium shaker channel blockers | 20191007 |
WO-2021071806-A1 | Arylmethylene heterocyclic compounds as kv1.3 potassium shaker channel blockers | 20191007 |
AU-2018263921-A1 | Non-fused tricyclic compounds | 20170503 |
CN-111132673-A | Non-fused tricyclic compounds | 20170503 |
EP-3618818-A1 | Non-fused tricyclic compounds | 20170503 |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.936993 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.936993 |
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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