2,3-Difluorobenzaldehyde

C₇H₄F₂OCAS 2646-91-5142.10 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₄F₂O
Molar mass: 142.10 g/mol
Exact mass: 142.0230 Da
Melting point: 64–65 °C
Boiling point: 69–73 °C (at 15 Torr)
logP: 1.78Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor98% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98% of notifiers

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

2646-91-5

SMILES

O=Cc1cccc(F)c1F

InChIKey

WDBAXYQUOZDFOJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F2O/c8-6-3-1-2-5(4-10)7(6)9/h1-4H

Weigh it out

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

Names and synonyms

1 names

Benzaldehyde, 2,3-difluoro-

Work with 2,3-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

2,3,4-Trifluorobenzaldehyde161793-17-567 % similar 2-Fluorobenzaldehyde446-52-665 % similar 3-Chloro-2-fluorobenzaldehyde85070-48-062 % similar 2-Chloro-3-fluorobenzaldehyde96516-31-362 % similar 3-Fluoro-2-methylbenzaldehyde147624-13-360 % similar 3-Fluorosalicylaldehyde394-50-360 % similar 2-Bromo-3-fluorobenzaldehyde891180-59-960 % similar 3-Chloro-2,4-difluorobenzaldehyde127675-46-158 % 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 3,5-Difluorobenzaldehyde32085-88-4 3,4-Difluorobenzaldehyde34036-07-2 2,6-Difluorobenzaldehyde437-81-0

Elsewhere

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