1-Iodo-3,5-bis(trifluoromethyl)benzene

C8H3F6ICAS 328-73-4340.01 g/mol

Open in Covalent MOL file
FFFIFFF
Alkyl halideAryl halide

Properties

Molecular formula
C8H3F6I
Molar mass
340.01 g/mol
Exact mass
339.9184 Da
Boiling point
59–61 °C (at 10 Torr)
logP
4.33Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 63 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
328-73-4
SMILES
FC(F)(F)c1cc(I)cc(C(F)(F)F)c1
InChIKey
VDPIZIZDKPFXLI-UHFFFAOYSA-N
InChI
InChI=1S/C8H3F6I/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 1-iodo-3,5-bis(trifluoromethyl)-
  • Benzene, 5-iodo-1,3-bis(trifluoromethyl)-
  • 3,5-Bis(trifluoromethyl)iodobenzene
  • 3,5-Bis(trifluoromethyl)phenyl iodide
  • 1,3-Bis(trifluoromethyl)-5-iodobenzene
  • 5-Iodo-1,3-bis(trifluoromethyl)benzene
  • 3,5-Bis(trifluoromethyl)-1-iodobenzene

Work with 1-Iodo-3,5-bis(trifluoromethyl)benzene

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)benzene729-81-767 % similar 1-Iodo-3-(trifluoromethyl)benzene401-81-060 % similar 1-Iodo-4-(trifluoromethyl)benzene455-13-057 % similar 3,5-Bis(trifluoromethyl)benzenethiol130783-02-750 % similar Tris(3,5-bis(trifluoromethyl)phenyl)phosphine175136-62-650 % similar 1-Bromo-3,5-bis(trifluoromethyl)benzene328-70-150 % similar 1-Chloro-3,5-bis(trifluoromethyl)benzene328-72-350 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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