1-Bromo-2-fluoro-4-iodobenzene

C₆H₃BrFICAS 136434-77-0300.90 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃BrFI
Molar mass: 300.90 g/mol
Exact mass: 299.8447 Da
logP: 3.19Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed85.4% of notifiers
H315 Causes skin irritation18.8% of notifiers
H319 Causes serious eye irritation18.8% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

136434-77-0

SMILES

C1=CC(=C(C=C1I)F)Br

InChIKey

OCODJNASCDFXSR-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrFI/c7-5-2-1-4(9)3-6(5)8/h1-3H

Weigh it out

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

Work with 1-Bromo-2-fluoro-4-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-Difluoro-4-iodobenzene64248-58-460 % similar 1,4-Dibromo-2-fluorobenzene1435-52-556 % similar 1,4-Diiodo-2-fluorobenzene147808-02-456 % similar 1-Bromo-2,4-difluorobenzene348-57-256 % similar 2-Bromo-5-iodotoluene202865-85-854 % similar 2-Fluoro-4-iodo-1-methylbenzene39998-81-754 % similar 2-Bromo-1,3-difluoro-5-iodobenzene155906-10-852 % similar 4-Bromo-3-fluorophenol121219-03-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2-fluoro-1-iodobenzene105931-73-5 3-Iodo-4-fluorobromobenzene116272-41-4 1-Bromo-4-fluoro-2-iodobenzene202865-72-3 2-Bromo-4-fluoro-1-iodobenzene202865-73-4 1-Bromo-3-fluoro-2-iodobenzene450412-29-0 3-Fluoro-5-iodo bromobenzene845866-85-5

Elsewhere

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