1-Fluoro-2-iodo-4-methylbenzene

C7H6FICAS 452-82-4236.03 g/mol

Open in Covalent MOL file
FI
Aryl halide

Properties

Molecular formula
C7H6FI
Molar mass
236.03 g/mol
Exact mass
235.9498 Da
logP
2.74Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P316, P303+P361+P353, P321, P330, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
452-82-4
SMILES
Cc1ccc(F)c(I)c1
InChIKey
XJWZEEGCMBQBNG-UHFFFAOYSA-N
InChI
InChI=1S/C7H6FI/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 1-fluoro-2-iodo-4-methyl-
  • Toluene, 4-fluoro-3-iodo-
  • NSC 29032
  • 4-Fluoro-3-iodotoluene
  • 3-Iodo-4-fluorotoluene

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

3,4-Difluorotoluene2927-34-660 % similar 2-Iodo-1,4-dimethylbenzene1122-42-558 % similar 1,4-Difluoro-2-iodobenzene2265-92-156 % similar 2-Chloro-1-fluoro-4-methylbenzene1513-25-354 % similar 1-Iodo-2,4-dimethylbenzene4214-28-252 % similar 3-Iodo-4-fluorobromobenzene116272-41-452 % similar 2-Iodo-4-methylphenol16188-57-152 % similar 2-Iodo-4-methylaniline29289-13-252 % 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 1-Fluoro-4-iodo-2-methylbenzene452-68-6 2-Fluoro-1-iodo-4-methylbenzene452-79-9 4-Fluoro-1-iodo-2-methylbenzene66256-28-8 1-Fluoro-2-iodo-3-methylbenzene883502-14-5

Elsewhere

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