67776-06-1

Name SNAP
CAS 67776-06-1
Molecular Formula C7H12N2O4S
MDL Number MFCD00272624
Molecular Weight 220.25
MOL File 67776-06-1.mol
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Chemical Properties

Appearance green crystalline solid
Melting point  150.5°C
density  1.4261 (rough estimate)
refractive index  1.5400 (estimate)
RTECS  YV9383000
storage temp.  −20°C
solubility  H2O: ≥2 mg/mL
form  powder
pka 3.06±0.10(Predicted)
color  green
Water Solubility  H2O: ≥2mg/mL
DMSO: ≥20mg/mL, clear (faint green to very dark green)
InChI 1S/C7H12N2O4S/c1-4(10)8-5(6(11)12)7(2,3)14-9-13/h5H,1-3H3,(H,8,10)(H,11,12)
InChIKey ZIIQCSMRQKCOCT-UHFFFAOYSA-N
SMILES CC(=O)NC(C(O)=O)C(C)(C)SN=O
CAS DataBase Reference 67776-06-1(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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