4-Chloro-3-(trifluoromethyl)phenylboronic Acid - CAS 176976-42-4
Catalog: |
BB013264 |
Product Name: |
4-Chloro-3-(trifluoromethyl)phenylboronic Acid |
CAS: |
176976-42-4 |
Synonyms: |
[4-chloro-3-(trifluoromethyl)phenyl]boronic acid; [4-chloro-3-(trifluoromethyl)phenyl]boronic acid |
IUPAC Name: | [4-chloro-3-(trifluoromethyl)phenyl]boronic acid |
Description: | 4-Chloro-3-(trifluoromethyl)phenylboronic Acid (CAS# 176976-42-4) is a useful research reagent for the preparation of biologically and pharmacologically active molecules. |
Molecular Weight: | 224.37 |
Molecular Formula: | C7H5ClF3O2B |
Canonical SMILES: | B(C1=CC(=C(C=C1)Cl)C(F)(F)F)(O)O |
InChI: | InChI=1S/C7H5BClF3O2/c9-6-2-1-4(8(13)14)3-5(6)7(10,11)12/h1-3,13-14H |
InChI Key: | XHKNQBNGLMOTDB-UHFFFAOYSA-N |
Boiling Point: | 304.3 °C at 760 mmHg |
Density: | 1.49 g/cm3 |
Appearance: | Solid |
MDL: | MFCD03094999 |
LogP: | 1.03860 |
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 |
KR-20210076879-A | Novel pyrimidine derivatives and use thereof | 20191216 |
WO-2021125803-A1 | Novel pyrimidin derivative and use thereof | 20191216 |
US-2020392113-A1 | Substituted pyrazolo-pyrazines and their use as glun2b receptor modulators | 20190614 |
US-2020392130-A1 | SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS | 20190614 |
WO-2020249791-A1 | SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS | 20190614 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.0023217 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.0023217 |
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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