2,6-Difluoro-4-formylphenylboronic acid pinacol ester - CAS 870717-92-3
Catalog: |
BB038233 |
Product Name: |
2,6-Difluoro-4-formylphenylboronic acid pinacol ester |
CAS: |
870717-92-3 |
Synonyms: |
3,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
IUPAC Name: | 3,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
Description: | 2,6-Difluoro-4-formylphenylboronic acid pinacol ester (CAS# 870717-92-3) is a useful research chemical. |
Molecular Weight: | 268.06 |
Molecular Formula: | C13H15BF2O3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2F)C=O)F |
InChI: | InChI=1S/C13H15BF2O3/c1-12(2)13(3,4)19-14(18-12)11-9(15)5-8(7-17)6-10(11)16/h5-7H,1-4H3 |
InChI Key: | KWYZDHWDFMOVOR-UHFFFAOYSA-N |
Boiling Point: | 334.8 ℃ at 760 mmHg |
Melting Point: | 135-139 ℃ |
Purity: | 95 % |
Density: | 1.17 g/cm3 |
MDL: | MFCD08276848 |
LogP: | 2.07650 |
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 |
JP-2019530670-A | Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer | 20160909 |
TW-201811784-A | Pyrazolopyridine compound and use thereof | 20160909 |
TW-201811799-A | Pyrazolopyrimidine compound and use thereof | 20160909 |
US-10266530-B2 | Pyrazolopyridine compounds and uses thereof | 20160909 |
US-10435405-B2 | Pyrazolopyridine compounds and uses thereof | 20160909 |
Complexity: | 334 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.1082308 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.1082308 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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