2,4,5,6-Tetrachloropyrimidine

C₄Cl₄N₂CAS 1780-40-1217.86 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₄Cl₄N₂
Molar mass: 217.86 g/mol
Exact mass: 215.8816 Da
Melting point: 66–68 °C
Boiling point: 108–109 °C (at 11 Torr)
logP: 3.09Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H300 Fatal if swallowed18.9% of notifiers
H314 Causes severe skin burns and eye damage18.9% of notifiers
H315 Causes skin irritation81.1% of notifiers
H319 Causes serious eye irritation81.1% of notifiers
H330 Fatal if inhaled18.9% of notifiers
H335 May cause respiratory irritation79.2% of notifiers

Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

1780-40-1

SMILES

Clc1nc(Cl)c(Cl)c(Cl)n1

InChIKey

GVBHCMNXRKOJRH-UHFFFAOYSA-N

InChI

InChI=1S/C4Cl4N2/c5-1-2(6)9-4(8)10-3(1)7

Weigh it out

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

Names and synonyms

5 names

Pyrimidine, 2,4,5,6-tetrachloro-
Pyrimidine, tetrachloro-
Tetrachloropyrimidine
Perchloropyrimidine
NSC 35123

Work with 2,4,5,6-Tetrachloropyrimidine

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

2,4,6,8-Tetrachloropyrimido[5,4-d]pyrimidine32980-71-558 % similar Pentachloropyridine2176-62-756 % similar 2,4,6-Trichloro-5-methylpyrimidine1780-36-552 % similar Cyanuric chloride108-77-050 % similar 4,5,6-Trichloropyrimidine1780-27-450 % similar 3,5,6-Trichloro-[1,2,4]triazine873-41-648 % similar 2,4,6-Trichloro-5-pyrimidinecarboxaldehyde50270-27-446 % similar 2,3,5,6-Tetrachloropyridine-4-thiol10351-06-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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