chempirical

Sodium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate

C32H12BF24NaCAS 79060-88-1886.21 g/mol

Open in Covalent MOL file
B−FFFFFFFFFFFFFFFFFFFFFFFFNa+
Alkyl halide

Properties

Molecular formula
C32H12BF24Na
Molar mass
886.21 g/mol
Exact mass
886.0547 Da
logP
8.22Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
79060-88-1
SMILES
[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.[Na+]
InChIKey
LTGMONZOZHXAHO-UHFFFAOYSA-N
InChI
InChI=1S/C32H12BF24.Na/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;/h1-12H;/q-1;+1

Weigh it out

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Work with Sodium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3,5-Tris(trifluoromethyl)benzene729-81-757 % similar [3,5-Bis(trifluoromethyl)phenyl]hydrazine886-35-146 % similar 3,5-Bis(trifluoromethyl)benzenethiol130783-02-744 % similar Tris(3,5-bis(trifluoromethyl)phenyl)phosphine175136-62-644 % similar 1-Bromo-3,5-bis(trifluoromethyl)benzene328-70-144 % similar 1-Chloro-3,5-bis(trifluoromethyl)benzene328-72-344 % similar 1-Iodo-3,5-bis(trifluoromethyl)benzene328-73-444 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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