6-Bromo-2,2,3,3-tetrafluoro-1,4-benzodioxan

C₈H₃BrF₄O₂CAS 141872-90-4287.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₈H₃BrF₄O₂
Molar mass: 287.01 g/mol
Exact mass: 285.9253 Da
logP: 3.41Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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, 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

141872-90-4

SMILES

C1=CC2=C(C=C1Br)OC(C(O2)(F)F)(F)F

InChIKey

NFBZNZNRSMRQDC-UHFFFAOYSA-N

InChI

InChI=1S/C8H3BrF4O2/c9-4-1-2-5-6(3-4)15-8(12,13)7(10,11)14-5/h1-3H

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Names and synonyms

1 names

6-Bromo-2,2,3,3-tetrafluoro-1,4-benzodioxane

Work with 6-Bromo-2,2,3,3-tetrafluoro-1,4-benzodioxan

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

5-Bromo-2,2-difluorobenzodioxole33070-32-571 % similar 6-Hydroxy-2,2,3,3-tetrafluoro-1,4-benzodioxane103467-50-160 % similar 2,2,3,3-Tetrafluoro-1,4-benzodioxin-6-amine89586-07-255 % similar 2,2,3,3-Tetrafluoro-2,3-dihydro-1,4-benzodioxine94767-47-252 % similar 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene105529-58-652 % similar 4-Bromo-2-(trifluoromethoxy)aniline175278-09-849 % similar 4-Bromo-2-(trifluoromethoxy)iodobenzene175278-12-349 % similar 4-Bromo-2-(trifluoromethoxy)thiophenol175278-15-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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