3,4,5-Trifluorobenzaldehyde

C7H3F3OCAS 132123-54-7160.10 g/mol

Open in Covalent MOL file
FFFO
AldehydeAryl 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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
132123-54-7
SMILES
C1=C(C=C(C(=C1F)F)F)C=O
InChIKey
NLAVHUUABUFSIG-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H

Weigh it out

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

Work with 3,4,5-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

3,5-Difluoro-4-hydroxybenzaldehyde118276-06-562 % similar 2,3,5,6-Tetrafluorobenzaldehyde19842-76-360 % similar 3,5-Difluorobenzaldehyde32085-88-458 % similar 3,4-Difluorobenzaldehyde34036-07-258 % similar 2,3,4,5-Tetrafluorobenzaldehyde16583-06-556 % similar 3,5-Difluoro-4-methoxybenzaldehyde654-11-555 % similar 1,3,5-Benzenetricarboxaldehyde3163-76-652 % similar 1,2,3,5-Tetrafluorobenzene2367-82-052 % 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 2,3,4-Trifluorobenzaldehyde161793-17-5 2,4,5-Trifluorobenzaldehyde165047-24-5 2,4,6-Trifluorobenzaldehyde58551-83-0

Elsewhere

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