2,4-Dichloro-5-(trifluoromethyl)pyrimidine

C₅HCl₂F₃N₂CAS 3932-97-6216.97 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₅HCl₂F₃N₂
Molar mass: 216.97 g/mol
Exact mass: 215.9469 Da
Boiling point: 126 °C (at 650 Torr)
logP: 2.80Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H300 Fatal if swallowed84.1% of notifiers
H315 Causes skin irritation11.1% of notifiers
H319 Causes serious eye irritation88.9% of notifiers

Aggregated from 63 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

3932-97-6

SMILES

FC(F)(F)c1cnc(Cl)nc1Cl

InChIKey

IDRUEHMBFUJKAK-UHFFFAOYSA-N

InChI

InChI=1S/C5HCl2F3N2/c6-3-2(5(8,9)10)1-11-4(7)12-3/h1H

Weigh it out

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

Names and synonyms

3 names

Pyrimidine, 2,4-dichloro-5-(trifluoromethyl)-
5-Trifluoromethyl-2,4-dichloropyrimidine
2,6-Dichloro-5-trifluoromethylpyrimidine

Work with 2,4-Dichloro-5-(trifluoromethyl)pyrimidine

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-5-fluoropyrimidine2927-71-150 % similar 2,6-Dichloro-3-(trifluoromethyl)pyridine55304-75-150 % similar 2,4,5-Trichloropyrimidine5750-76-548 % similar 2-Chloro-5-(trifluoromethyl)pyrimidine69034-12-448 % similar 2-Chloro-3-(trifluoromethyl)pyridine65753-47-145 % similar 2,4-Dichloro-5-iodopyrimidine13544-44-045 % similar 2,4-Dichloro-5-methylpyrimidine1780-31-045 % similar 5-Bromo-2,4-dichloropyrimidine36082-50-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dichloro-6-(trifluoromethyl)pyrimidine16097-64-6

Elsewhere

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