4,6-Dichloro-5-fluoropyrimidine

C₄HCl₂FN₂CAS 213265-83-9166.96 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₄HCl₂FN₂
Molar mass: 166.96 g/mol
Exact mass: 165.9501 Da
logP: 1.92Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation25% of notifiers
H318 Causes serious eye damage25% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

213265-83-9

SMILES

Fc1c(Cl)ncnc1Cl

InChIKey

DGMIGAHDDPJOPN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Pyrimidine, 4,6-dichloro-5-fluoro-

Work with 4,6-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

6-Chloro-5-fluoropyrimidin-4-amine851984-15-167 % similar 4-Chloro-6-ethyl-5-fluoropyrimidine137234-74-359 % similar 4-(1-Bromoethyl)-6-chloro-5-fluoropyrimidine188416-28-653 % similar 4,5,6-Trichloropyrimidine1780-27-452 % similar 4,6-Dichloro-5-iodopyrimidine1137576-38-548 % similar 4,6-Dichloro-5-methylpyrimidine4316-97-648 % similar 5-Amino-4,6-dichloropyrimidine5413-85-448 % similar 5-Bromo-4,6-dichloropyrimidine68797-61-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dichloro-5-fluoropyrimidine2927-71-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook