2-Chloro-5-(trifluoromethyl)phenylboronic Acid - CAS 182344-18-9
Catalog: |
BB013933 |
Product Name: |
2-Chloro-5-(trifluoromethyl)phenylboronic Acid |
CAS: |
182344-18-9 |
Synonyms: |
[2-chloro-5-(trifluoromethyl)phenyl]boronic acid; [2-chloro-5-(trifluoromethyl)phenyl]boronic acid |
IUPAC Name: | [2-chloro-5-(trifluoromethyl)phenyl]boronic acid |
Description: | Reactant for: Synthesis of aryl- and hetarylfurocoumarins via Suzuki reaction; Synthesis of Et canthinone-3-carboxylates from Et 4-bromo-6-methoxy-1,5-naphthyridine-3-carboxylate via a Pd-catalyzed Suzuki-Miyaura coupling and a Cu-catalyzed amidation reaction; Preparation of xanthines via one-pot coupling with diaminouracil; Pd-catalyzed Suzuki-Miyaura coupling with 8-bromo-1,5-naphthyridin-2-one. May contain varying amounts of anhydride. |
Molecular Weight: | 224.37 |
Molecular Formula: | C7H5ClF3O2B |
Canonical SMILES: | B(C1=C(C=CC(=C1)C(F)(F)F)Cl)(O)O |
InChI: | InChI=1S/C7H5BClF3O2/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,13-14H |
InChI Key: | YVMXEHZEYONARR-UHFFFAOYSA-N |
Boiling Point: | 303.2 ℃ at 760 mmHg |
Density: | 1.49 g/cm3 |
MDL: | MFCD00797335 |
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 |
WO-2021161084-A1 | N-(4-fluorophenyl)-5-phenyl-[1,2,4] triazolo [1,5-a] pyridine-2-carboxamide derivatives and their synthesis thereof | 20200216 |
CN-112574224-A | KRAS G12C inhibitor and application thereof | 20190930 |
WO-2021063346-A1 | Kras g12c inhibitor and application thereof | 20190930 |
WO-2020223255-A1 | 3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2 | 20190429 |
TW-202106669-A | 3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2 | 20190429 |
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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