5-Bromo-2,2-difluorobenzodioxole

C₇H₃BrF₂O₂CAS 33070-32-5237.00 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₃BrF₂O₂
Molar mass: 237.00 g/mol
Exact mass: 235.9284 Da
logP: 2.77Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed12.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation37.5% of notifiers

Aggregated from 8 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

33070-32-5

SMILES

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

InChIKey

SZRHWHHXVXSGMT-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrF2O2/c8-4-1-2-5-6(3-4)12-7(9,10)11-5/h1-3H

Weigh it out

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

Names and synonyms

1 names

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

Work with 5-Bromo-2,2-difluorobenzodioxole

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

6-Bromo-2,2,3,3-tetrafluoro-1,4-benzodioxan141872-90-471 % similar 2,2,5-Trifluoro-1,3-benzodioxole656-43-957 % similar 5-Amino-2,2-difluoro-1,3-benzodioxole1544-85-055 % similar 5-Chloro-2,2-difluoro-1,3-benzodioxole72769-08-555 % similar 2,2-Difluoro-1,3-benzodioxole1583-59-152 % similar 4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene105529-58-652 % similar 2,2-Difluoro-5-formylbenzodioxole656-42-850 % similar 4-Bromo-2-(trifluoromethoxy)aniline175278-09-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-4,5-difluorobenzoic acid1244642-73-6 4-Bromo-2,2-difluoro-1,3-benzodioxole144584-66-7 2-Bromo-3,4-difluorobenzoic acid170108-05-1 4-Bromo-2,6-difluorobenzoic acid183065-68-1 4-Bromo-2,3-difluorobenzoic acid194804-91-6 3-Bromo-2,6-difluorobenzoic acid28314-81-0 4-Bromo-2,5-difluorobenzoic acid28314-82-1 5-Bromo-2,4-difluorobenzoic acid28314-83-2

Elsewhere

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