2,3,4,5-Tetrafluorobenzaldehyde

C₇H₂F₄OCAS 16583-06-5178.09 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₂F₄O
Molar mass: 178.09 g/mol
Exact mass: 178.0042 Da
logP: 2.06Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number

16583-06-5

SMILES

C1=C(C(=C(C(=C1F)F)F)F)C=O

InChIKey

UPJHEKIKCNDMEX-UHFFFAOYSA-N

InChI

InChI=1S/C7H2F4O/c8-4-1-3(2-12)5(9)7(11)6(4)10/h1-2H

Weigh it out

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

Work with 2,3,4,5-Tetrafluorobenzaldehyde

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

2,3,5-Ttrifluorobenzaldehyde126202-23-164 % similar 2,3,4-Trifluorobenzaldehyde161793-17-563 % similar 5-Bromo-2,3-difluoro-benzaldehyde633327-22-760 % similar 2,4,5-Trifluorobenzaldehyde165047-24-558 % similar 3,4,5-Trifluorobenzaldehyde132123-54-756 % similar Pentafluorobenzene363-72-452 % similar 2-Chloro-4,5-difluorobenzaldehyde165047-23-450 % similar 4,5-Difluoro-2-hydroxybenzaldehyde199287-52-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,3,5,6-Tetrafluorobenzaldehyde19842-76-3

Elsewhere

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