2,3,5,6-Tetrafluorobenzaldehyde

C₇H₂F₄OCAS 19842-76-3178.09 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

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

19842-76-3

SMILES

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

InChIKey

YIRYOMXPMOLQSO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2,3,5,6-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

2,3,6-Trifluorobenzaldehyde104451-70-964 % similar 2,3,5,6-Tetrafluoroterephthalaldehyde3217-47-862 % similar 3,4,5-Trifluorobenzaldehyde132123-54-760 % similar Pentafluorobenzaldehyde653-37-259 % similar 2,4,6-Trifluorobenzaldehyde58551-83-054 % similar 6-Bromo-2,3-difluorobenzaldehyde360576-04-153 % similar 6-Chloro-2,3-difluorobenzaldehyde797791-33-453 % similar 2,3,5-Ttrifluorobenzaldehyde126202-23-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,4,5-Tetrafluorobenzaldehyde16583-06-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook