1839-18-5

Name 2-Chloroadenine
CAS 1839-18-5
EINECS(EC#) 606-011-2
Molecular Formula C5H4ClN5
MDL Number MFCD00127773
Molecular Weight 169.57
MOL File 1839-18-5.mol

Chemical Properties

Melting point  >300°C(dec)
Boiling point  279.76°C (rough estimate)
density  1.4937 (rough estimate)
refractive index  1.6110 (estimate)
storage temp.  -20°C
solubility  Aqueous Base (Slightly), DMSO (Very Slightly, Heated, Sonicated)
form  Solid
pka 7.17±0.20(Predicted)
color  Pale yellow
Water Solubility  8.3mg/L(25 ºC)
λmax 264nm(lit.)
InChI InChI=1S/C5H4ClN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)
InChIKey HBJGQJWNMZDFKL-UHFFFAOYSA-N
SMILES NC1N=C(N=C2N=CNC2=1)Cl
CAS DataBase Reference 1839-18-5(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
Hazard Note  Irritant
HS Code  29339900
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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