Ethyl 2,4-dichloro-5-pyrimidinecarboxylate

C7H6Cl2N2O2CAS 51940-64-8221.04 g/mol

Open in Covalent MOL file
OONClNCl
Aryl halideEster

Properties

Molecular formula
C7H6Cl2N2O2
Molar mass
221.04 g/mol
Exact mass
219.9806 Da
Melting point
36–37 °C
Boiling point
148–150 °C (at NaN Torr)
logP
1.96Crippen estimate
Polar surface area
52.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
51940-64-8
SMILES
CCOC(=O)c1cnc(Cl)nc1Cl
InChIKey
SRJBDGLSCPDXBL-UHFFFAOYSA-N
InChI
InChI=1S/C7H6Cl2N2O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3

Weigh it out

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Names and synonyms

7 names
  • 5-Pyrimidinecarboxylic acid, 2,4-dichloro-, ethyl ester
  • 2,4-Dichloro-5-carbethoxypyrimidine
  • 5-Carbethoxy-2,4-dichloropyrimidine
  • 2,4-Dichloro-5-ethoxycarbonylpyrimidine
  • 2,4-Dichloro-5-carboethoxypyrimidine
  • 2,4-Dichloropyrimidine-5-carboxylic acid ethyl ester
  • Ethyl 2,4-dichloropyrimidine-5-carboxylate

Work with Ethyl 2,4-dichloro-5-pyrimidinecarboxylate

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

Ethyl 4-chloro-2-methylpyrimidine-5-carboxylate2134-36-374 % similar Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate188781-08-072 % similar 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester5909-24-069 % similar Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate720-01-467 % similar Methyl2,4-dichloropyrimidine-5-carboxylate3177-20-666 % similar Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate187035-79-665 % similar Isopropanyl 2,4-dichloropyrimidine-5-carboxylate69312-43-261 % similar 2-Chloro-pyrimidine-5-carboxylic acid ethyl ester89793-12-461 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 4,6-dichloropyridazine-3-carboxylate679406-03-2

Elsewhere

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