Potassium 4-Pyridyltrifluoroborate - CAS 1111732-87-6
Catalog: |
BB002730 |
Product Name: |
Potassium 4-Pyridyltrifluoroborate |
CAS: |
1111732-87-6 |
Synonyms: |
potassium;trifluoro(pyridin-4-yl)boranuide; potassium;trifluoro(pyridin-4-yl)boranuide |
IUPAC Name: | potassium;trifluoro(pyridin-4-yl)boranuide |
Description: | Organotrifluoroborate involved in: Cross-coupling with unactivated alkyl halides; C-O activation of phenol derivatives; Suzuki-Miyaura cross-coupling reactionsOrganotrifluoroborates as versatile and stable boronic acid surrogates. |
Molecular Weight: | 185.00 |
Molecular Formula: | C5H4F3NBK |
Canonical SMILES: | [B-](C1=CC=NC=C1)(F)(F)F.[K+] |
InChI: | InChI=1S/C5H4BF3N.K/c7-6(8,9)5-1-3-10-4-2-5;/h1-4H;/q-1;+1 |
InChI Key: | SLPOSOZRTRIRQS-UHFFFAOYSA-N |
Melting Point: | 45-50 °C |
Flash Point: | 140.9 °F |
MDL: | MFCD09038543 |
LogP: | 1.13600 |
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 |
AU-2017204979-A1 | 18/19F-labelled compounds which target the prostate specific membrane antigen | 20160110 |
CA-3049470-A1 | 18/19f-labelled compounds which target the prostate specific membrane antigen | 20160110 |
EP-3400229-A1 | 18/19f-labelled compounds which target the prostate specific membrane antigen | 20160110 |
US-2019010171-A1 | 18/19f-labelled compounds which target the prostate specific membrane antigen | 20160110 |
WO-2017117687-A1 | 18/19f-labelled compounds which target the prostate specific membrane antigen | 20160110 |
Complexity: | 113 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.0025953 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.0025953 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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