1,3-Difluoro-5-iodobenzene
Properties
- Molecular formula
- C6H3F2I
- Molar mass
- 239.99 g/mol
- Exact mass
- 239.9248 Da
- Boiling point
- 58–60 °C
- logP
- 2.57Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation88.9% of notifiers
- H319 Causes serious eye irritation88.9% of notifiers
- H335 May cause respiratory irritation77.8% of notifiers
Aggregated from 9 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
2265-91-0SMILES
Fc1cc(F)cc(I)c1InChIKey
QQCFOQNFPIAENW-UHFFFAOYSA-NInChI
InChI=1S/C6H3F2I/c7-4-1-5(8)3-6(9)2-4/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzene, 1,3-difluoro-5-iodo-
- 3,5-Difluoroiodobenzene
- 1-Iodo-3,5-difluorobenzene
- 3,5-Difluoro-1-iodobenzene
Work with 1,3-Difluoro-5-iodobenzene
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3-Fluoro-5-iodoaniline660-49-164 % similar
3-Fluoro-5-iodo bromobenzene845866-85-564 % similar
1,3,5-Trifluorobenzene372-38-360 % similar
1-Fluoro-3-iodobenzene1121-86-457 % similar
3-Fluoro-5-iodopyridine757950-13-352 % similar
1-Fluoro-4-iodobenzene352-34-150 % similar
1-Fluoro-3-iodo-5-nitrobenzene3819-88-350 % similar
2,6-Difluoro-4-iodopyridine685517-71-945 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.