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16691-43-3

Name 3-Amino-5-mercapto-1,2,4-triazole
CAS 16691-43-3
EINECS(EC#) 240-735-6
Molecular Formula C2H4N4S
MDL Number MFCD00005231
Molecular Weight 116.14
MOL File 16691-43-3.mol
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Chemical Properties

Appearance white to light beige crystalline powder
Melting point  >300 °C(lit.)
Boiling point  201.2±23.0 °C(Predicted)
density  1.420 (estimate)
refractive index  1.5605 (estimate)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  water: soluble25mg/mL, clear, faintly yellow to yellow
form  Crystalline Powder
pka 12.57±0.20(Predicted)
color  White to light beige
Water Solubility  SOLUBLE IN HOT WATER
Detection Methods KPLC,NMR
BRN  112404
InChI InChI=1S/C2H4N4S/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)
InChIKey WZUUZPAYWFIBDF-UHFFFAOYSA-N
SMILES N1C(N)=NC(=S)N1
LogP 0.347 (est)
CAS DataBase Reference 16691-43-3(CAS DataBase Reference)
EPA Substance Registry System 16691-43-3(EPA Substance)
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Safety Data

Hazard Codes  Xi,Xn,F
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
R11:Highly Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S16:Keep away from sources of ignition-No smoking .
WGK Germany  3
RTECS  XZ5357500
F  13
TSCA  Yes
HS Code  29339990

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