5-Fluoro-2-iodotoluene

C₇H₆FICAS 28490-56-4236.03 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆FI
Molar mass: 236.03 g/mol
Exact mass: 235.9498 Da
logP: 2.74Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

28490-56-4

SMILES

CC1=C(C=CC(=C1)F)I

InChIKey

VWBMDRDQJLUMMS-UHFFFAOYSA-N

InChI

InChI=1S/C7H6FI/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names

4-Fluoro-1-iodo-2-methylbenzene

Work with 5-Fluoro-2-iodotoluene

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Fluoro-1-iodo-2-methylbenzene66256-28-8

Similar compounds

4-Fluoro-1,2-dimethylbenzene452-64-263 % similar 2,4-Difluoro-1-iodobenzene2265-93-258 % similar 1,4-Difluoro-2-methylbenzene452-67-558 % similar 1-Iodo-2,4-dimethylbenzene4214-28-254 % similar 2-Chloro-4-fluoro-1-iodobenzene101335-11-954 % similar 2-Bromo-4-fluoro-1-iodobenzene202865-73-454 % similar 5-Fluoro-2-iodoaniline255724-71-154 % similar 1-Chloro-4-fluoro-2-methylbenzene33406-96-154 % similar

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

Same formula

4-Fluoro-2-iodo-1-methylbenzene13194-67-7 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 1-Fluoro-2-iodo-4-methylbenzene452-82-4 1-Fluoro-2-iodo-3-methylbenzene883502-14-5

Elsewhere

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