2,3,4-Trifluorobenzaldehyde

C₇H₃F₃OCAS 161793-17-5160.10 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 vapor89.6% 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

161793-17-5

SMILES

O=Cc1ccc(F)c(F)c1F

InChIKey

UQEDGFZRPSAHLC-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

Benzaldehyde, 2,3,4-trifluoro-

Work with 2,3,4-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

2,3-Difluorobenzaldehyde2646-91-567 % similar 3-Chloro-2,4-difluorobenzaldehyde127675-46-166 % similar 2,3,4,5-Tetrafluorobenzaldehyde16583-06-563 % similar 2,3-Difluoro-4-hydroxybenzaldehyde676500-39-361 % similar 2,3-Difluoro-4-methylbenzaldehyde245536-50-959 % similar 4-Bromo-2,3-difluorobenzaldehyde644985-24-059 % similar 1,2,3,4-Tetrafluorobenzene551-62-255 % similar 2-Fluoro-4-hydroxybenzaldehyde348-27-652 % 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 2,4,5-Trifluorobenzaldehyde165047-24-5 2,4,6-Trifluorobenzaldehyde58551-83-0

Elsewhere

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