2,4,6-Trichloropyrimidine

C₄HCl₃N₂CAS 3764-01-0183.42 g/mol

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Properties

Molecular formula: C₄HCl₃N₂
Molar mass: 183.42 g/mol
Exact mass: 181.9205 Da
Melting point: 22.5 °C
Boiling point: 212.5 °C
logP: 2.44Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

3764-01-0

SMILES

Clc1cc(Cl)nc(Cl)n1

InChIKey

DPVIABCMTHHTGB-UHFFFAOYSA-N

InChI

InChI=1S/C4HCl3N2/c5-2-1-3(6)9-4(7)8-2/h1H

Weigh it out

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

Names and synonyms

2 names

Pyrimidine, 2,4,6-trichloro-
NSC 6494

Work with 2,4,6-Trichloropyrimidine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Dichloro-6-methylpyrimidine5424-21-562 % similar 4,6-Dichloro-2-methylpyrimidine1780-26-355 % similar Cyanuric chloride108-77-053 % similar 2,4,6-Trichloropyridine16063-69-753 % similar 2-Methoxy-4,6-dichloropyrimidine1074-40-448 % similar 4,6-Dichloro-2-(methylthio)pyrimidine6299-25-848 % similar 2,6-Dichloro-4-pyridinol17228-74-948 % similar 4,6-Dichloropyrimidine1193-21-147 % similar

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

Same formula

3,4,5-Trichloropyridazine14161-11-6 4,5,6-Trichloropyrimidine1780-27-4

Elsewhere

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