1076-22-8

Name 2,6-Dihydroxy-3-methylpurine
CAS 1076-22-8
EINECS(EC#) 214-058-1
Molecular Formula C6H6N4O2
MDL Number MFCD00005580
Molecular Weight 166.14
MOL File 1076-22-8.mol

Chemical Properties

Melting point  >300 °C (lit.)
Boiling point  294.33°C (rough estimate)
density  1.4434 (rough estimate)
refractive index  1.6700 (estimate)
storage temp.  2-8°C
solubility  DMSO (Slightly, Heated), Methanol (Slightly)
form  Solid
pka pK1:8.10;pK2:11.3 (25°C)
color  White to Pale Beige
Water Solubility  Insoluble in water.
BRN  180944
InChI InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)
InChIKey GMSNIKWWOQHZGF-UHFFFAOYSA-N
SMILES N1C2=C(N(C)C(=O)NC2=O)NC=1
CAS DataBase Reference 1076-22-8(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn,T+
Risk Statements 
R22:Harmful if swallowed.
R26/27/28:Very Toxic by inhalation, in contact with skin and if swallowed .
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  1
RTECS  ZD8750000
HS Code  29335990
Storage Class 11 - Combustible Solids
Toxicity
LD50 intraperitoneal in mouse: 894mg/kg

Hazard Information

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