(4,6-Dichloropyrimidin-5-yl)acetaldehyde

C₆H₄Cl₂N₂OCAS 16019-33-3191.01 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₆H₄Cl₂N₂O
Molar mass: 191.01 g/mol
Exact mass: 189.9701 Da
Melting point: 89–91 °C
logP: 1.52Crippen estimate
Polar surface area: 42.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

16019-33-3

SMILES

O=CCc1c(Cl)ncnc1Cl

InChIKey

QEBITPOSBYZLCY-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl2N2O/c7-5-4(1-2-11)6(8)10-3-9-5/h2-3H,1H2

Weigh it out

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

Names and synonyms

3 names

5-Pyrimidineacetaldehyde, 4,6-dichloro-
4,6-Dichloro-5-pyrimidineacetaldehyde
2-(4,6-Dichloro-5-pyrimidinyl)acetaldehyde

Work with (4,6-Dichloropyrimidin-5-yl)acetaldehyde

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

4,6-Dichloro-5-pyrimidinecarbaldehyde5305-40-848 % similar 4-Chloro-6,7-dihydro-5H-pyrrolo(2,3-d)pyrimidine16372-08-041 % similar 4,5,6-Trichloropyrimidine1780-27-441 % similar 4,6-Dichloro-5-iodopyrimidine1137576-38-538 % similar 4,6-Dichloro-5-fluoropyrimidine213265-83-938 % similar 4,6-Dichloro-5-methylpyrimidine4316-97-638 % similar 5-Amino-4,6-dichloropyrimidine5413-85-438 % similar 5-Bromo-4,6-dichloropyrimidine68797-61-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,6-Dichloro-2-methylpyrimidine-5-carbaldehyde14160-91-9 2,6-Dichloroisonicotinamide89281-13-0

Elsewhere

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