1-Fluoro-4-iodo-2-methylbenzene

C7H6FICAS 452-68-6236.03 g/mol

Open in Covalent MOL file
IF
Aryl halide

Properties

Molecular formula
C7H6FI
Molar mass
236.03 g/mol
Exact mass
235.9498 Da
Boiling point
86–87 °C (at 9 Torr)
logP
2.74Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 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
452-68-6
SMILES
Cc1cc(I)ccc1F
InChIKey
DYQIYXDSKUUZRI-UHFFFAOYSA-N
InChI
InChI=1S/C7H6FI/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 1-fluoro-4-iodo-2-methyl-
  • Toluene, 2-fluoro-5-iodo-
  • 2-Fluoro-5-iodotoluene

Work with 1-Fluoro-4-iodo-2-methylbenzene

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

1,2-Difluoro-4-iodobenzene64248-58-463 % similar 1-Iodo-3,4-dimethylbenzene31599-61-858 % similar 1,4-Difluoro-2-methylbenzene452-67-558 % similar 4,4'-Diiodo-2,2'-dimethylbiphenyl69571-02-456 % similar 2-Chloro-1-fluoro-4-iodobenzene156150-67-354 % similar 4-Chloro-1-fluoro-2-methylbenzene452-66-454 % similar 4-Fluoro-3-methylaniline452-69-754 % similar 4-Fluoro-3-methylphenol452-70-054 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Fluoro-2-iodo-1-methylbenzene13194-67-7 5-Fluoro-2-iodotoluene28490-56-4 2-Fluoro-4-iodo-1-methylbenzene39998-81-7 1-Fluoro-3-iodo-2-methylbenzene443-85-6 2-Fluoro-1-iodo-4-methylbenzene452-79-9 1-Fluoro-2-iodo-4-methylbenzene452-82-4 4-Fluoro-1-iodo-2-methylbenzene66256-28-8 1-Fluoro-2-iodo-3-methylbenzene883502-14-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook