2,2-Difluoro-5-formylbenzodioxole

C₈H₄F₂O₃CAS 656-42-8186.11 g/mol

Open in Covalent MOL file

Acetal Aldehyde Alkyl halide Ether

Properties

Molecular formula: C₈H₄F₂O₃
Molar mass: 186.11 g/mol
Exact mass: 186.0129 Da
logP: 1.82Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

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

656-42-8

SMILES

C1=CC2=C(C=C1C=O)OC(O2)(F)F

InChIKey

GGERGLKEDUUSAP-UHFFFAOYSA-N

InChI

InChI=1S/C8H4F2O3/c9-8(10)12-6-2-1-5(4-11)3-7(6)13-8/h1-4H

Weigh it out

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

Names and synonyms

1 names

2,2-Difluorobenzodioxole-5-carboxaldehyde

Work with 2,2-Difluoro-5-formylbenzodioxole

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

3-Fluoro-4-(trifluoromethoxy)benzaldehyde473917-15-656 % similar 4-Hydroxy-3-(trifluoromethoxy)benzaldehyde53104-95-353 % similar 2,2,5-Trifluoro-1,3-benzodioxole656-43-952 % similar Veratraldehyde120-14-950 % similar Piperonal120-57-050 % similar 5-Amino-2,2-difluoro-1,3-benzodioxole1544-85-050 % similar 2,3-Dihydro-1,4-benzodioxin-6-carbaldehyde29668-44-850 % similar 5-Bromo-2,2-difluorobenzodioxole33070-32-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,2-Difluoro-benzo(1,3)dioxole-4-carbaldehyde119895-68-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook