4-Chloro-2,6-difluorobenzaldehyde

C₇H₃ClF₂OCAS 252004-45-8176.55 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₃ClF₂O
Molar mass: 176.55 g/mol
Exact mass: 175.9840 Da
logP: 2.43Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed90.9% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

252004-45-8

SMILES

C1=C(C=C(C(=C1F)C=O)F)Cl

InChIKey

GTTVSBCPMJQRSP-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClF2O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H

Weigh it out

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

Work with 4-Chloro-2,6-difluorobenzaldehyde

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

2,4-Dichloro-6-fluorobenzaldehyde681435-09-678 % similar 2,4,6-Trifluorobenzaldehyde58551-83-062 % similar 2,6-Difluorobenzaldehyde437-81-058 % similar 2,6-Difluoro-4-hydroxybenzaldehyde532967-21-857 % similar 4-Bromo-2,6-difluorobenzaldehyde537013-51-757 % similar 4-Chloro-2-fluorobenzaldehyde61072-56-857 % similar 2,4,6-Trichlorobenzaldehyde24473-00-556 % similar 2-Chloro-6-fluorobenzaldehyde387-45-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Chloro-2,4-difluorobenzaldehyde127675-46-1 3,5-Difluorobenzoyl chloride129714-97-2 2-Chloro-4,5-difluorobenzaldehyde165047-23-4 2,6-Difluorobenzoyl chloride18063-02-0 2,3-Difluorobenzoyl chloride18355-73-2 3-Chloro-2,6-difluorobenzaldehyde190011-87-1 2-Chloro-3,6-difluorobenzaldehyde261762-39-4 2,5-Difluorobenzoyl chloride35730-09-7

Elsewhere

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