3,5-Difluorobenzaldehyde

C7H4F2OCAS 32085-88-4142.10 g/mol

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AldehydeAryl halide

Properties

Molecular formula
C7H4F2O
Molar mass
142.10 g/mol
Exact mass
142.0230 Da
logP
1.78Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 50 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
32085-88-4
SMILES
O=Cc1cc(F)cc(F)c1
InChIKey
ASOFZHSTJHGQDT-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4H

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

Names and synonyms

1 names
  • Benzaldehyde, 3,5-difluoro-

Work with 3,5-Difluorobenzaldehyde

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-Bromo-5-fluorobenzaldehyde188813-02-768 % similar 3-Fluoro-5-methylbenzaldehyde189628-39-568 % similar 3-Chloro-5-fluorobenzaldehyde90390-49-168 % similar 3-Fluoro-5-(trifluoromethyl)benzaldehyde188815-30-763 % similar 3-Fluorobenzaldehyde456-48-463 % similar 3-Fluoro-5-formylbenzonitrile1003708-42-661 % similar 3,4,5-Trifluorobenzaldehyde132123-54-758 % similar 1,3,5-Benzenetricarboxaldehyde3163-76-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Difluorobenzaldehyde1550-35-2 2,5-Difluorobenzaldehyde2646-90-4 2,3-Difluorobenzaldehyde2646-91-5 3,4-Difluorobenzaldehyde34036-07-2 2,6-Difluorobenzaldehyde437-81-0

Elsewhere

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