2-Chloro-4-fluoro-1-iodobenzene

C₆H₃ClFICAS 101335-11-9256.44 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₆H₃ClFI
Molar mass: 256.44 g/mol
Exact mass: 255.8952 Da
logP: 3.08Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed14.3% of notifiers
H302 Harmful if swallowed14.3% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation85.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation71.4% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

101335-11-9

SMILES

Fc1ccc(I)c(Cl)c1

InChIKey

POTCKVPDYXEGSV-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClFI/c7-5-3-4(8)1-2-6(5)9/h1-3H

Weigh it out

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

Names and synonyms

3 names

Benzene, 2-chloro-4-fluoro-1-iodo-
2-Chloro-4-fluoroiodobenzene
4-Fluoro-2-chloroiodobenzene

Work with 2-Chloro-4-fluoro-1-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Dichloro-4-fluorobenzene1435-49-060 % similar 2-Chloro-4-fluoro-1-methylbenzene452-73-357 % similar 2,4-Difluoro-1-iodobenzene2265-93-256 % similar 1-Chloro-2,5-difluorobenzene2367-91-156 % similar 2,4-Dichloro-1-iodobenzene29898-32-656 % similar 2-Chloro-1-iodo-4-methylbenzene116632-42-954 % similar 5-Fluoro-2-iodotoluene28490-56-454 % similar 4-Fluoro-1-iodo-2-methylbenzene66256-28-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloro-3-fluoro-2-iodobenzene127654-70-0 2-Chloro-1-fluoro-4-iodobenzene156150-67-3 1-Chloro-2-fluoro-4-iodobenzene202982-67-0 1-Chloro-4-fluoro-2-iodobenzene202982-68-1 4-Chloro-2-fluoro-1-iodobenzene6797-79-1 1-Chloro-2-fluoro-3-iodobenzene72373-82-1

Elsewhere

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