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Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate Structure

Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate

Chemical Properties

Melting point 60-63 °C (lit.)
Boiling point 132°C/0.4mmHg(lit.)
Density  1.37±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Chloroform, Ethyl Acetate
form  Crystalline Powder
pka -2.19±0.29(Predicted)
color  White to light yellow to beige
InChI InChI=1S/C8H9ClN2O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h4H,3H2,1-2H3
InChIKey SNNHLSHDDGJVDM-UHFFFAOYSA-N
SMILES C1(SC)=NC=C(C(OCC)=O)C(Cl)=N1
CAS DataBase Reference 5909-24-0(CAS DataBase Reference)
FDA UNII 3EZY6B6CLY
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
Hazard Note  Irritant
HazardClass  IRRITANT, KEEP COLD
HS Code  29339900
NFPA 704:
1
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