552-62-5

Name 7-METHYLXANTHINE
CAS 552-62-5
EINECS(EC#) 209-019-0
Molecular Formula C6H6N4O2
MDL Number MFCD00037979
Molecular Weight 166.14
MOL File 552-62-5.mol
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Chemical Properties

Melting point  ≥300 °C
density  1.83±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  DMSO (Slightly, Heated), Methanol (Slightly, Heated)
form  Solid
pka pK1:8.33;pK2:ca;pK3:13 (25°C)
color  Light Brown to Light Grey
Water Solubility  Soluble in dimethyl sulfoxide. Insoluble in water.
BRN  171027
Cosmetics Ingredients Functions NOT REPORTED
InChI 1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)
InChIKey PFWLFWPASULGAN-UHFFFAOYSA-N
SMILES Cn1cnc2NC(=O)NC(=O)c12

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312-P330-P501
Hazard Codes  T+
Risk Statements 
Safety Statements 
WGK Germany  3
RTECS  ZD8925000
F  10
HS Code  29335990
Storage Class 13 - Non Combustible Solids

Hazard Information

Spectrum Detail

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