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84-82-2

Name Toxoflavin
CAS 84-82-2
Molecular Formula C7H7N5O2
MDL Number MFCD00459812
Molecular Weight 193.16
MOL File 84-82-2.mol
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Chemical Properties

Melting point  165 °C
Boiling point  276.7±23.0 °C(Predicted)
density  1.65±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  H2O: soluble10mg/mL, clear
form  powder
pka -2.71±0.20(Predicted)
color  white to light brown
Water Solubility  H2O: 10mg/mL, clear
InChI 1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
InChIKey SLGRAIAQIAUZAQ-UHFFFAOYSA-N
SMILES CN1N=CN=C(C1=N2)C(N(C)C2=O)=O

Safety Data

Hazard Codes  T
Risk Statements 
Safety Statements 
RIDADR  UN 2811 6.1 / PGIII
WGK Germany  3
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 2 Oral
Toxicity
LD50 in mice (mg/kg): 1.7 i.v.; 8.4 orally (Machlowitz)

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