2,3-Difluoro-4-methylbenzaldehyde

C₈H₆F₂OCAS 245536-50-9156.13 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₈H₆F₂O
Molar mass: 156.13 g/mol
Exact mass: 156.0387 Da
logP: 2.09Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

245536-50-9

SMILES

CC1=C(C(=C(C=C1)C=O)F)F

InChIKey

YCTVOFSIRYUUAN-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F2O/c1-5-2-3-6(4-11)8(10)7(5)9/h2-4H,1H3

Weigh it out

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

Work with 2,3-Difluoro-4-methylbenzaldehyde

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-Trifluorobenzaldehyde161793-17-559 % similar 2,3-Difluoro-4-hydroxybenzaldehyde676500-39-357 % similar 4-Bromo-2,3-difluorobenzaldehyde644985-24-055 % similar 5-Fluoro-2-methylbenzaldehyde22062-53-953 % similar 4-Fluoro-2-methylbenzaldehyde63082-45-153 % similar 6-Chloro-2-fluoro-3-methylbenzaldehyde286474-59-753 % similar 4-Methyl-1-naphthaldehyde33738-48-650 % similar 4-Hydroxy-2-methylbenzaldehyde41438-18-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2S)-2-(3,4-Difluorophenyl)oxirane1006376-63-1 3',5'-Difluoroacetophenone123577-99-1 1-(2,6-Difluorophenyl)ethanone13670-99-0 5,7-Difluoro-2,3-dihydrobenzofuran175203-20-0 2',3'-Difluoroacetophenone18355-80-1 1-(2,5-Difluorophenyl)ethanone1979-36-8 1-(2,4-Difluorophenyl)ethanone364-83-0 1-(3,4-Difluorophenyl)ethanone369-33-5

Elsewhere

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