2,4-Difluorophenylboronic Acid Pinacol Ester - CAS 288101-48-4
Catalog: |
BB019961 |
Product Name: |
2,4-Difluorophenylboronic Acid Pinacol Ester |
CAS: |
288101-48-4 |
Synonyms: |
2-(2,4-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(2,4-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(2,4-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 2,4-Difluorophenylboronic Acid Pinacol Ester (CAS# 288101-48-4) is a useful research chemical. |
Molecular Weight: | 240.05 |
Molecular Formula: | C12H15F2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)F)F |
InChI: | InChI=1S/C12H15BF2O2/c1-11(2)12(3,4)17-13(16-11)9-6-5-8(14)7-10(9)15/h5-7H,1-4H3 |
InChI Key: | HVKAOYLQBVBZDU-UHFFFAOYSA-N |
Boiling Point: | 276.5 °C at 760 mmHg |
Melting Point: | 41-44 °C (lit.) |
Flash Point: | 226.4 °F |
Purity: | 97 % |
Density: | 1.11 g/cm3 |
Solubility: | Water : Insoluble |
Storage: | 2-8 °C |
MDL: | MFCD05663880 |
LogP: | 2.26400 |
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-2020212581-A1 | N-acyl-{4-[(4-aryl-phenyl)sulfonylmethyl]piperidine} compounds and their therapeutic use | 20190418 |
WO-2020157201-A1 | Oxadiazinone compounds for the treatment of hyperproliferative diseases | 20190201 |
WO-2020035560-A1 | 1-methyl-4-[(4-phenylphenyl)sulfonylmethyl]cyclohexyanol and 1-methyl-4-[[4-(2-pyridyl)phenyl]sulfonylmethyl]cyclohexanol compounds and their therapeutic use | 20180815 |
CN-112805270-A | 1-methyl-4- [ (4-phenylphenyl) sulfonylmethyl ] cyclohexanol and 1-methyl-4- [ [4- (2-pyridinyl) phenyl ] sulfonylmethyl ] cyclohexanol compounds and therapeutic uses thereof | 20180815 |
EP-3837244-A1 | 1-methyl-4-[(4-phenylphenyl)sulfonylmethyl]cyclohexyanol and 1-methyl-4-[[4-(2-pyridyl)phenyl]sulfonylmethyl]cyclohexanol compounds and their therapeutic use | 20180815 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.1133162 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.1133162 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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