4-Fluoro-3-methoxybenzaldehyde

C₈H₇FO₂CAS 128495-46-5154.14 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: 29–30 °C
Boiling point: 93 °C (at 4.5 Torr)
logP: 1.65Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed85.4% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage83.3% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

128495-46-5

SMILES

COc1cc(C=O)ccc1F

InChIKey

NALVGTOMKSKFFV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

4-Fluoro-m-anisaldehyde
Benzaldehyde, 4-fluoro-3-methoxy-
3-Methoxy-4-fluorobenzaldehyde
4-Fluoro-5-methoxybenzaldehyde

Work with 4-Fluoro-3-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

3-Fluoro-4-methoxybenzaldehyde351-54-275 % similar Veratraldehyde120-14-968 % similar 4-(Difluoromethoxy)-3-methoxybenzaldehyde162401-70-964 % similar 3,4-Difluorobenzaldehyde34036-07-263 % similar 3-Methoxy-4-methylbenzaldehyde24973-22-662 % similar Vanillin121-33-560 % similar 4-Chloro-3-methoxybenzaldehyde13726-16-460 % similar 4-Fluoro-3-phenoxybenzaldehyde68359-57-959 % 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 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 2-Fluoro-5-methylbenzoic acid321-12-0

Elsewhere

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