chempirical

Dimethylanilinium tetrakis(pentafluorophenyl)borate

C32H12BF20NCAS 118612-00-3801.23 g/mol

Open in Covalent MOL file
NH+FFFB−FFFFFFFFFFFFFFFFF
Aryl halideTertiary amine

Properties

Molecular formula
C32H12BF20N
Molar mass
801.23 g/mol
Exact mass
801.0743 Da
Melting point
225–227 °C (decomposes)
logP
6.31Crippen estimate
Polar surface area
4.4 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
5

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P203, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P332+P317, P362+P364, P405, P501

Identifiers

CAS number
118612-00-3
SMILES
C[NH+](C)c1ccccc1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIKey
BRHZQNMGSKUUMN-UHFFFAOYSA-O
InChI
InChI=1S/C24BF20.C8H11N/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-9(2)8-6-4-3-5-7-8/h;3-7H,1-2H3/q-1;/p+1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • Borate(1-), tetrakis(pentafluorophenyl)-, hydrogen, compd. with N,N-dimethylbenzenamine (1:1:1)
  • Benzene, pentafluoro-, boron complex
  • Benzenamine, N,N-dimethyl-, tetrakis(pentafluorophenyl)borate(1-)
  • N,N-Dimethylanilinium tetrakis(pentafluorophenyl)borate
  • Dimethylphenylammonium tetrakis(pentafluorophenyl)borate
  • N,N-Dimethylanilinium tetrakis(perfluorophenyl)borate
  • BF 20
  • N,N-Dimethylphenylamine tetrakis(pentafluorophenyl)borate
  • Dimethylphenylammonium tetrakis(perfluorophenyl)borate
  • Dimethyl(phenyl)ammonium tetrakis(2,3,4,5,6-pentafluorophenyl)borate
  • Phenyldimethylammonium tetrakis(pentafluorophenyl)borate
  • N,N-Dimethylanilium tetrakis(pentafluorophenyl)borate
  • N,N-Dimethylanilinium (tetrapentafluorophenyl)borate
  • Dimethylphenylammonium tetrapentafluorophenylborate
  • N,N-Dimethylanilinium tetra(perfluorophenyl)borate
  • DMAH-BF 20

Work with Dimethylanilinium tetrakis(pentafluorophenyl)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

Triphenylcarbenium tetrakis(pentafluorophenyl)borate136040-19-253 % similar Bis(2,3,4,5,6-pentafluorophenyl)phenylphosphine5074-71-531 % similar N-Phenyltetrafluorophthalimide116508-58-830 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook