4,5-Dihydro-1,3-bis(2,6-diisopropylphenyl)imidazolium tetrafluoroborate

C₂₇H₃₉BF₄N₂CAS 282109-83-5478.43 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₇H₃₉BF₄N₂
Molar mass: 478.43 g/mol
Exact mass: 478.3142 Da
Melting point: above 300 °C
logP: 8.67Crippen estimate
Polar surface area: 6.3 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 6

Hazards

Danger

H314 Causes severe skin burns and eye damage97.5% of notifiers
H332 Harmful if inhaled97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

282109-83-5

SMILES

CC(C)c1cccc(C(C)C)c1N1C=[N+](c2c(C(C)C)cccc2C(C)C)CC1.F[B-](F)(F)F

InChIKey

KFZBJQUHHALFSR-UHFFFAOYSA-N

InChI

InChI=1S/C27H39N2.BF4/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2-1(3,4)5/h9-14,17-21H,15-16H2,1-8H3;/q+1;-1

Weigh it out

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

Names and synonyms

6 names

1H-Imidazolium, 1,3-bis[2,6-bis(1-methylethyl)phenyl]-4,5-dihydro-, tetrafluoroborate(1-) (1:1)
1H-Imidazolium, 1,3-bis[2,6-bis(1-methylethyl)phenyl]-4,5-dihydro-, tetrafluoroborate(1-)
1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydroimidazolium tetrafluoroborate
N,N′-Bis(2,6-diisopropylphenyl)dihydroimidazolium tetrafluoroborate
1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-3H-imidazol-1-ium tetrafluoroborate
1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium tetrafluoroborate

Work with 4,5-Dihydro-1,3-bis(2,6-diisopropylphenyl)imidazolium tetrafluoroborate

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-Bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium tetrafluoroborate245679-18-950 % similar Chloro[1,3-bis(2,6-di-I-propylphenyl)imidazol-2-ylidene]copper(I)578743-87-033 % similar Bis(1-methylethyl)benzene25321-09-930 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook