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

C₇H₃BrF₂O₂CAS 144584-66-7237.00 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

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation90.9% of notifiers

Aggregated from 44 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

144584-66-7

SMILES

FC1(F)Oc2cccc(Br)c2O1

InChIKey

LSZYHXNOLVSZHH-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrF2O2/c8-4-2-1-3-5-6(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

2 names

1,3-Benzodioxole, 4-bromo-2,2-difluoro-
4-Bromo-2,2-difluorobenzodioxole

Work with 4-Bromo-2,2-difluoro-1,3-benzodioxole

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

4-Amino-2,2-difluoro-1,3-benzodioxole106876-54-459 % similar 2,2-Difluoro-1,3-benzodioxole1583-59-156 % similar 2,2-Difluoro-benzo(1,3)dioxole-4-carbaldehyde119895-68-054 % similar (R)-1-(2,2-Difluoro-benzo[1,3]dioxol-4-yl)-ethylamine1213203-92-950 % similar 2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid126120-85-250 % similar 2,2-Difluoro-1,3-benzodioxole-4-carbonyl chloride143096-86-050 % similar 2-(Trifluoromethoxy)bromobenzene64115-88-447 % similar 1,1'-[(4S)-2,2,2',2'-Tetrafluoro[4,4'-bi-1,3-benzodioxole]-5,5'-diyl]bis[1,1-diphenylphosphine]503538-69-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-4,5-difluorobenzoic acid1244642-73-6 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 5-Bromo-2,2-difluorobenzodioxole33070-32-5

Elsewhere

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