2,4,5-Trifluorobenzaldehyde

C₇H₃F₃OCAS 165047-24-5160.10 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₃F₃O
Molar mass: 160.10 g/mol
Exact mass: 160.0136 Da
logP: 1.92Crippen 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
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 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, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

165047-24-5

SMILES

O=Cc1cc(F)c(F)cc1F

InChIKey

CYIFJRXFYSUBFW-UHFFFAOYSA-N

InChI

InChI=1S/C7H3F3O/c8-5-2-7(10)6(9)1-4(5)3-11/h1-3H

Weigh it out

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

Names and synonyms

1 names

Benzaldehyde, 2,4,5-trifluoro-

Work with 2,4,5-Trifluorobenzaldehyde

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-Bromo-2,5-difluorobenzaldehyde357405-75-565 % similar 4-Chloro-2,5-difluorobenzaldehyde879093-02-465 % similar 2,5-Difluoro-4-hydroxybenzaldehyde918523-99-665 % similar 2-Chloro-4,5-difluorobenzaldehyde165047-23-462 % similar 4,5-Difluoro-2-hydroxybenzaldehyde199287-52-062 % similar 2-Bromo-4,5-difluorobenzaldehyde476620-54-962 % similar 2,5-Difluoro-4-methoxybenzaldehyde879093-08-059 % similar 2,3,4,5-Tetrafluorobenzaldehyde16583-06-558 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,6-Trifluorobenzaldehyde104451-70-9 2,3,5-Ttrifluorobenzaldehyde126202-23-1 3,4,5-Trifluorobenzaldehyde132123-54-7 2,3,4-Trifluorobenzaldehyde161793-17-5 2,4,6-Trifluorobenzaldehyde58551-83-0

Elsewhere

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