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858956-08-8

Name 6-AMINO-5-CHLORO-2-CYCLOPROPYLPYRIMIDINE-4-CARBOXYLIC ACID
CAS 858956-08-8
EINECS(EC#) 617-769-9
Molecular Formula C8H8ClN3O2
MDL Number MFCD17013133
Molecular Weight 213.62
MOL File 858956-08-8.mol

Chemical Properties

Melting point  215 - 217°C
Boiling point  432.3±45.0 °C(Predicted)
density  1.635±0.06 g/cm3(Predicted)
vapor pressure  0-0Pa at 20-25℃
storage temp.  Keep in dark place,Sealed in dry,Store in freezer, under -20°C
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 7.04±0.10(Predicted)
color  Off-White to Pale Yellow
Stability: Hygroscopic
InChI InChI=1S/C8H8ClN3O2/c9-4-5(8(13)14)11-7(3-1-2-3)12-6(4)10/h3H,1-2H2,(H,13,14)(H2,10,11,12)
InChIKey KWAIHLIXESXTJL-UHFFFAOYSA-N
SMILES C1(C2CC2)=NC(N)=C(Cl)C(C(O)=O)=N1
LogP -2.48--1.01 at 20℃
Surface tension 72.1mN/m at 885mg/L and 20℃
Dissociation constant 4.65 at 20℃
EPA Substance Registry System 4-Pyrimidinecarboxylic acid, 6-amino-5-chloro-2-cyclopropyl- (858956-08-8)

Safety Data

Risk Statements 
Safety Statements 
RIDADR  UN3077 (solid); UN3082 (liquid)
Hazardous Substances Data 858956-08-8(Hazardous Substances Data)

Hazard Information

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