3-Chloro-4-(trifluoromethyl)phenylboronic Acid - CAS 847756-88-1
Catalog: |
BB037302 |
Product Name: |
3-Chloro-4-(trifluoromethyl)phenylboronic Acid |
CAS: |
847756-88-1 |
Synonyms: |
[3-chloro-4-(trifluoromethyl)phenyl]boronic acid; [3-chloro-4-(trifluoromethyl)phenyl]boronic acid |
IUPAC Name: | [3-chloro-4-(trifluoromethyl)phenyl]boronic acid |
Description: | 3-Chloro-4-(trifluoromethyl)phenylboronic Acid (CAS# 847756-88-1) is a useful research chemical. |
Molecular Weight: | 224.37 |
Molecular Formula: | C7H5ClF3O2B |
Canonical SMILES: | B(C1=CC(=C(C=C1)C(F)(F)F)Cl)(O)O |
InChI: | InChI=1S/C7H5BClF3O2/c9-6-3-4(8(13)14)1-2-5(6)7(10,11)12/h1-3,13-14H |
InChI Key: | OCHKTAGGJMWISO-UHFFFAOYSA-N |
Boiling Point: | 294.7 °C at 760 mmHg |
Density: | 1.49 g/cm3 |
Appearance: | Solid |
MDL: | MFCD03788417 |
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-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
WO-2020088442-A1 | Trifluoromethyl-substituted sulfonamide as bcl-2-selective inhibitor | 20181029 |
CN-112888687-A | Trifluoromethyl substituted sulfonamide selective BCL-2 inhibitors | 20181029 |
EP-3858832-A1 | Trifluoromethyl-substituted sulfonamide as bcl-2-selective inhibitor | 20181029 |
KR-20210086680-A | Trifluoromethyl-substituted sulfonamides as BCL-2-selective inhibitors | 20181029 |
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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