5325-20-2

Name (2H)1,4-BENZOTHIAZIN-3(4H)-ONE
CAS 5325-20-2
EINECS(EC#) 226-197-5
Molecular Formula C8H7NOS
MDL Number MFCD00006698
Molecular Weight 165.21
MOL File 5325-20-2.mol
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Chemical Properties

Appearance ALMOST WHITE TO LIGHT BEIGE-GREY CRYST. POWDER
Melting point  176-178 °C(lit.)
Boiling point  272.25°C (rough estimate)
density  1.1979 (rough estimate)
refractive index  1.6458 (estimate)
storage temp.  2-8°C
form  powder to crystal
pka 12.90±0.20(Predicted)
color  White to Orange to Green
BRN  131642
InChI 1S/C8H7NOS/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10)
InChIKey GTFMIJNXNMDHAB-UHFFFAOYSA-N
SMILES O=C1CSc2ccccc2N1
CAS DataBase Reference 5325-20-2(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
Hazard Note  Irritant
HS Code  2934999090
Storage Class 11 - Combustible Solids

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