2,3-Difluoro-6-methoxybenzaldehyde

C₈H₆F₂O₂CAS 187543-87-9172.13 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

Warning

H302 Harmful if swallowed12.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation87.5% of notifiers
H412 Harmful to aquatic life with long lasting effects12.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

187543-87-9

SMILES

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

InChIKey

AKOJAYHBKACKNJ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2,3-Difluoro-6-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-6-methoxybenzaldehyde146137-74-863 % similar 2,3,6-Trifluorobenzaldehyde104451-70-961 % similar 2,3,4-Trifluoroanisole203245-16-359 % similar 2,6-Dimethoxybenzaldehyde3392-97-055 % similar 4-Fluoro-3-methoxybenzaldehyde128495-46-554 % similar 3-Fluoro-4-methoxybenzaldehyde351-54-254 % similar 6-Bromo-2,3-difluorobenzaldehyde360576-04-153 % similar 6-Chloro-2,3-difluorobenzaldehyde797791-33-453 % 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

PubChem CAS Common Chemistry NIST WebBook