5-Bromo-4,6-dichloropyrimidine

C4HBrCl2N2CAS 68797-61-5227.87 g/mol

Open in Covalent MOL file
ClNNClBr
Aryl halide

Properties

Molecular formula
C4HBrCl2N2
Molar mass
227.87 g/mol
Exact mass
225.8700 Da
Melting point
75–76 °C
logP
2.55Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
68797-61-5
SMILES
Clc1ncnc(Cl)c1Br
InChIKey
BKLHHTTZTSYHBV-UHFFFAOYSA-N
InChI
InChI=1S/C4HBrCl2N2/c5-2-3(6)8-1-9-4(2)7/h1H

Weigh it out

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

Names and synonyms

1 names
  • Pyrimidine, 5-bromo-4,6-dichloro-

Work with 5-Bromo-4,6-dichloropyrimidine

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-methylpyrimidine4316-97-655 % similar 4,5,6-Trichloropyrimidine1780-27-452 % similar 3-Bromo-2,4-dichloropyridine144584-32-750 % similar 4,6-Dichloro-5-iodopyrimidine1137576-38-548 % similar 4,6-Dichloro-5-fluoropyrimidine213265-83-948 % similar 5-Amino-4,6-dichloropyrimidine5413-85-448 % similar 5-(4-Bromophenyl)-4,6-dichloropyrimidine146533-41-746 % similar 3-Bromo-2-chloropyridin-4-amine215364-85-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-3,6-dichloropyridazine10344-42-0 5-Bromo-2,4-dichloropyrimidine36082-50-5

Elsewhere

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