2-Chloro-4-(trifluoromethyl)phenylboronic Acid - CAS 254993-59-4
Catalog: |
BB018930 |
Product Name: |
2-Chloro-4-(trifluoromethyl)phenylboronic Acid |
CAS: |
254993-59-4 |
Synonyms: |
[2-chloro-4-(trifluoromethyl)phenyl]boronic acid; [2-chloro-4-(trifluoromethyl)phenyl]boronic acid |
IUPAC Name: | [2-chloro-4-(trifluoromethyl)phenyl]boronic acid |
Description: | 2-Chloro-4-(trifluoromethyl)phenylboronic Acid (CAS# 254993-59-4) is a useful research chemical. |
Molecular Weight: | 224.37 |
Molecular Formula: | C7H5ClF3O2B |
Canonical SMILES: | B(C1=C(C=C(C=C1)C(F)(F)F)Cl)(O)O |
InChI: | InChI=1S/C7H5BClF3O2/c9-6-3-4(7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H |
InChI Key: | JKSUCAFAUNSPLO-UHFFFAOYSA-N |
Boiling Point: | 281.5 °C at 760 mmHg |
Density: | 1.49 g/cm3 |
Appearance: | White to pale yellow solid |
MDL: | MFCD02684337 |
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-2021209484-A1 | Benzimidazole derivatives | 20200416 |
WO-2019244049-A1 | Cyanotriazole compounds and uses thereof | 20180619 |
AU-2019291490-A1 | Cyanotriazole compounds and uses thereof | 20180619 |
BR-112020025538-A2 | CYANOTRIAZOL COMPOUNDS AND USES OF THE SAME | 20180619 |
CN-112313217-A | Cyanotriazole compounds and use thereof | 20180619 |
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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