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6295-57-4

Name (2-BENZOTHIAZOLYLTHIO)ACETIC ACID
CAS 6295-57-4
EINECS(EC#) 228-565-0
Molecular Formula C9H7NO2S2
MDL Number MFCD00227391
Molecular Weight 225.29
MOL File 6295-57-4.mol
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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)
EPA Substance Registry System Acetic acid, (2-benzothiazolylthio)- (6295-57-4)

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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
HazardClass  IRRITANT
HS Code  2934208090

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