Potassium Benzyltrifluoroborate - CAS 329976-73-0
Catalog: |
BB021513 |
Product Name: |
Potassium Benzyltrifluoroborate |
CAS: |
329976-73-0 |
Synonyms: |
potassium;trifluoro-(phenylmethyl)boranuide; potassium;benzyl(trifluoro)boranuide |
IUPAC Name: | potassium;benzyl(trifluoro)boranuide |
Description: | Organotrifluoroborate involved in: Oxidation; Ritter-type amidation with nitriles; Photo-allylation / photo-benzylation of carbonyl compounds; Stereoselective nucleophilic addition; Suzuki cross-couplingOrganotrifluoroborates as versatile and stable boronic acid surrogates. |
Molecular Weight: | 198.03 |
Molecular Formula: | C7H7F3BK |
Canonical SMILES: | [B-](CC1=CC=CC=C1)(F)(F)F.[K+] |
InChI: | InChI=1S/C7H7BF3.K/c9-8(10,11)6-7-4-2-1-3-5-7;/h1-5H,6H2;/q-1;+1 |
InChI Key: | WGHDAVWURFVTQC-UHFFFAOYSA-N |
Melting Point: | >300 °C (lit.) |
Flash Point: | Not applicable |
Purity: | 95 % |
MDL: | MFCD03427261 |
LogP: | 2.88210 |
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 |
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Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.0229964 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.0229964 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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