2-Fluoro-4-methoxybenzaldehyde

C₈H₇FO₂CAS 331-64-6154.14 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₈H₇FO₂
Molar mass: 154.14 g/mol
Exact mass: 154.0430 Da
Melting point: 47 °C
logP: 1.65Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed30% of notifiers
H312 Harmful in contact with skin10% of notifiers
H315 Causes skin irritation90% of notifiers
H319 Causes serious eye irritation90% of notifiers
H332 Harmful if inhaled10% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 10 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

331-64-6

SMILES

COc1ccc(C=O)c(F)c1

InChIKey

UNWQNFJBBWXFBG-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3

Weigh it out

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

Names and synonyms

3 names

Benzaldehyde, 2-fluoro-4-methoxy-
p-Anisaldehyde, 2-fluoro-
4-Methoxy-2-fluorobenzaldehyde

Work with 2-Fluoro-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

2,6-Difluoro-4-methoxybenzaldehyde256417-10-466 % similar 2,4-Dimethoxybenzaldehyde613-45-664 % similar 4-Methoxy-2-methylbenzaldehyde52289-54-062 % similar 2-Hydroxy-4-methoxybenzaldehyde673-22-362 % similar 2,5-Dimethoxybenzaldehyde93-02-761 % similar 2-Bromo-4-methoxybenzaldehyde43192-31-060 % similar 2-Hydroxy-5-methoxybenzaldehyde672-13-960 % similar 4-Methoxy-2-(trifluoromethyl)benzaldehyde106312-36-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-3-methoxybenzaldehyde103438-88-6 2-Fluoro-5-methoxybenzaldehyde105728-90-3 4-Fluoro-3-methoxybenzaldehyde128495-46-5 2-Fluoro-6-methoxybenzaldehyde146137-74-8 4'-Fluoro-2'-hydroxyacetophenone1481-27-2 Fluorophenylacetic acid1578-63-8 5-Fluoro-2-methoxybenzaldehyde19415-51-1 2-Fluoro-3-methylbenzoic acid315-31-1

Elsewhere

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