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(2-BENZOTHIAZOLYLTHIO)ACETIC ACID Structure

(2-BENZOTHIAZOLYLTHIO)ACETIC ACID

Chemical Properties

Melting point 159°C
Boiling point 423.4±47.0 °C(Predicted)
Density  1.4374 (rough estimate)
vapor pressure  0.001Pa at 20℃
refractive index  1.5364 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  Insoluble in water
form  powder to crystal
pka 3.23±0.10(Predicted)
color  White to Light yellow
Water Solubility  133mg/L at 20℃
InChI InChI=1S/C9H7NO2S2/c11-8(12)5-13-9-10-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,11,12)
InChIKey ZZUQWNYNSKJLPI-UHFFFAOYSA-N
SMILES C(O)(=O)CSC1=NC2=CC=CC=C2S1
LogP 1.6 at 20℃
CAS DataBase Reference 6295-57-4(CAS DataBase Reference)
FDA UNII 9H400WTE52
EPA Substance Registry System Acetic acid, (2-benzothiazolylthio)- (6295-57-4)
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Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H315-H319
Precautionary statements P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36/37/39
HazardClass  IRRITANT
HS Code  2934208090
NFPA 704:
1
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