2-Bromo-1,3-difluoro-5-iodobenzene

C₆H₂BrF₂ICAS 155906-10-8318.89 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₂BrF₂I
Molar mass: 318.89 g/mol
Exact mass: 317.8353 Da
logP: 3.33Crippen 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 irritation66.7% of notifiers

Aggregated from 3 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

155906-10-8

SMILES

C1=C(C=C(C(=C1F)Br)F)I

InChIKey

WOLGNRYEQPISPB-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrF2I/c7-6-4(8)1-3(10)2-5(6)9/h1-2H

Weigh it out

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

Work with 2-Bromo-1,3-difluoro-5-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

1,4-Dibromo-3,5-difluorobenzene128259-71-257 % similar 2-Bromo-1,3,5-trifluorobenzene2367-76-257 % similar 4-Bromo-3,5-difluorophenol130191-91-252 % similar 2,6-Difluoro-4-iodoaniline141743-49-952 % similar 4-Bromo-3,5-difluoroaniline203302-95-852 % similar 1-Bromo-2-fluoro-4-iodobenzene136434-77-052 % similar 1,2-Difluoro-4-iodobenzene64248-58-448 % similar 2-Bromo-1,3-difluoro-5-methoxybenzene202865-61-046 % similar

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

Same formula

5-Bromo-1,3-difluoro-2-iodobenzene160976-02-3 2-Bromo-4,6-difluoroiodobenzene175278-11-2

Elsewhere

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