2,4-Dichloro-5-fluoropyrimidine

C₄HCl₂FN₂CAS 2927-71-1166.96 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄HCl₂FN₂
Molar mass: 166.96 g/mol
Exact mass: 165.9501 Da
Melting point: 38–39 °C
Boiling point: 74–80 °C (at 16 Torr)
logP: 1.92Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed85.5% of notifiers
H314 Causes severe skin burns and eye damage92.7% of notifiers

Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number

2927-71-1

SMILES

Fc1cnc(Cl)nc1Cl

InChIKey

WHPFEQUEHBULBW-UHFFFAOYSA-N

InChI

InChI=1S/C4HCl2FN2/c5-3-2(7)1-8-4(6)9-3/h1H

Weigh it out

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

Names and synonyms

4 names

Pyrimidine, 2,4-dichloro-5-fluoro-
NSC 70442
5-Fluoro-2,4-dichloropyrimidine
2,6-Dichloro-5-fluoropyrimidine

Work with 2,4-Dichloro-5-fluoropyrimidine

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-Amino-4-chloro-5-fluoropyrimidine1683-75-661 % similar 2,4,5-Trichloropyrimidine5750-76-560 % similar 2,4-Dichloro-5-iodopyrimidine13544-44-050 % similar 2,4-Dichloro-5-methylpyrimidine1780-31-050 % similar 5-Bromo-2,4-dichloropyrimidine36082-50-550 % similar 2,4-Dichloro-5-(trifluoromethyl)pyrimidine3932-97-650 % similar 2,4-Dichloro-5-aminopyrimidine5177-27-550 % similar 2,4-Dichloro-5-methoxypyrimidine19646-07-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,6-Dichloro-5-fluoropyrimidine213265-83-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook