2,2-Difluoro-1,3-benzodioxole

C₇H₄F₂O₂CAS 1583-59-1158.10 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether

Properties

Molecular formula: C₇H₄F₂O₂
Molar mass: 158.10 g/mol
Exact mass: 158.0179 Da
Density: 1.3079 g/mL (at 20 °C)
Boiling point: 129–130 °C
logP: 2.01Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor67.2% of notifiers
H315 Causes skin irritation99.1% of notifiers
H317 May cause an allergic skin reaction34.5% of notifiers
H319 Causes serious eye irritation41.4% of notifiers
H335 May cause respiratory irritation41.4% of notifiers

Aggregated from 116 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P272, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

1583-59-1

SMILES

FC1(F)Oc2ccccc2O1

InChIKey

DGCOGZQDAXUUBY-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F2O2/c8-7(9)10-5-3-1-2-4-6(5)11-7/h1-4H

Weigh it out

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

Names and synonyms

4 names

1,3-Benzodioxole, 2,2-difluoro-
Benzene, 1,2-[(difluoromethylene)dioxy]-
2,2-Difluorobenzodioxole
2,2-Difluorobenzo[d][1,3]dioxole

Work with 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2,3,3-Tetrafluoro-2,3-dihydro-1,4-benzodioxine94767-47-262 % similar 4-Bromo-2,2-difluoro-1,3-benzodioxole144584-66-756 % similar 2,2,5-Trifluoro-1,3-benzodioxole656-43-954 % similar 4-Amino-2,2-difluoro-1,3-benzodioxole106876-54-454 % similar 1,2-Bis(1,1,2,2-tetrafluoroethoxy)benzene4063-48-352 % similar 5-Amino-2,2-difluoro-1,3-benzodioxole1544-85-052 % similar 5-Bromo-2,2-difluorobenzodioxole33070-32-552 % similar 5-Chloro-2,2-difluoro-1,3-benzodioxole72769-08-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Difluoro-4-hydroxybenzaldehyde118276-06-5 2,4-Difluorobenzoic acid1583-58-0 4,5-Difluoro-2-hydroxybenzaldehyde199287-52-0 2,5-Difluorobenzoic acid2991-28-8 2,6-Difluorobenzoic acid385-00-2 2,3-Difluorobenzoic acid4519-39-5 3,5-Difluorobenzoic acid455-40-3 3,4-Difluorobenzoic acid455-86-7

Elsewhere

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