2,6-Difluoro-4-methoxybenzaldehyde

C₈H₆F₂O₂CAS 256417-10-4172.13 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₈H₆F₂O₂
Molar mass: 172.13 g/mol
Exact mass: 172.0336 Da
logP: 1.79Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage86.7% of notifiers
H319 Causes serious eye irritation13.3% of notifiers
H335 May cause respiratory irritation13.3% of notifiers

Aggregated from 45 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

256417-10-4

SMILES

COC1=CC(=C(C(=C1)F)C=O)F

InChIKey

ZYABCGOTMDPUDD-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F2O2/c1-12-5-2-7(9)6(4-11)8(10)3-5/h2-4H,1H3

Weigh it out

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

Work with 2,6-Difluoro-4-methoxybenzaldehyde

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-Fluoro-4-methoxybenzaldehyde331-64-666 % similar 2-Fluoro-5-methoxybenzaldehyde105728-90-361 % similar 2,4,6-Trimethoxybenzaldehyde830-79-560 % similar 2,4,6-Trifluorobenzaldehyde58551-83-055 % similar 1,2-Difluoro-4-methoxybenzene115144-40-653 % similar 3,5-Dimethoxybenzaldehyde7311-34-453 % similar 2-Bromo-1,3-difluoro-5-methoxybenzene202865-61-052 % similar 4-Chloro-2,6-difluorobenzaldehyde252004-45-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Difluoro-2-methylbenzoic acid1003710-06-2 2,5-Difluoro-4-methylbenzoic acid103877-80-1 3,5-Difluorophenylacetic acid105184-38-1 Methyl 2,4-difluorobenzoate106614-28-2 2,4-Difluoro-3-methylbenzoic acid112857-68-8 Methyl 2,6-difluorobenzoate13671-00-6 1-(3,5-Difluoro-2-hydroxyphenyl)ethan-1-one140675-42-9 2,3-Difluorobenzeneacetic acid145689-41-4

Elsewhere

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