4-Bromo-2-fluoro-1-iodobenzene

C₆H₃BrFICAS 105931-73-5300.90 g/mol

Open in Covalent MOL file

Aryl halide

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 swallowed42.2% of notifiers
H312 Harmful in contact with skin42.2% of notifiers
H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H332 Harmful if inhaled42.2% of notifiers
H335 May cause respiratory irritation92.2% of notifiers

Aggregated from 90 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, 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

105931-73-5

SMILES

Fc1cc(Br)ccc1I

InChIKey

XRMZKCQCINEBEI-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

Benzene, 4-bromo-2-fluoro-1-iodo-
1-Bromo-3-fluoro-4-iodobenzene
3-Fluoro-4-iodobromobenzene
4-Bromo-2-fluoroiodobenzene
3-Fluoro-4-iodo-1-bromobenzene
2-Fluoro-4-bromo-1-iodobenzene

Work with 4-Bromo-2-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-Bromo-3,4-difluorobenzene348-61-860 % similar 4-Bromo-2-fluorotoluene51436-99-857 % similar 1,4-Dibromo-2-fluorobenzene1435-52-556 % similar 1,4-Diiodo-2-fluorobenzene147808-02-456 % similar 2,4-Difluoro-1-iodobenzene2265-93-256 % similar 5-Bromo-2-iodotoluene116632-39-454 % similar 5-Bromo-1,3-difluoro-2-iodobenzene160976-02-352 % similar 4,4'-Dibromo-2,2'-diiodobiphenyl852138-89-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Iodo-4-fluorobromobenzene116272-41-4 1-Bromo-2-fluoro-4-iodobenzene136434-77-0 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

PubChem CAS Common Chemistry NIST WebBook