57658-36-3

Name 5-Mercapto-1H-tetrazole-1-acetic acid
CAS 57658-36-3
EINECS(EC#) 260-884-0
Molecular Formula C3H4N4O2S
MDL Number MFCD00083000
Molecular Weight 160.15
MOL File 57658-36-3.mol
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Chemical Properties

Melting point  179-180 °C (decomp)
Boiling point  284.7±42.0 °C(Predicted)
density  1.99±0.1 g/cm3(Predicted)
pka 3.31±0.10(Predicted)
InChI InChI=1S/C3H4N4O2S/c8-2(9)1-7-3(10)4-5-6-7/h1H2,(H,8,9)(H,4,6,10)
InChIKey UOTQEHLQKASWQO-UHFFFAOYSA-N
SMILES N1(CC(O)=O)C(=S)N=NN1
CAS DataBase Reference 57658-36-3(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R63:Possible risk of harm to the unborn child.
Safety Statements 
S22:Do not breathe dust .
S36/37:Wear suitable protective clothing and gloves .
RIDADR  UN 0448 (5-MERCAPTOTETRAZOL-1- ACETIC ACID)
HazardClass  1.4C (5-MERCAPTOTETRAZOL-1- ACETIC ACID)

Hazard Information

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