7-Methyl-1,4-benzothiazin-3-one Structure

7-Methyl-1,4-benzothiazin-3-one

Chemical Properties

Melting point 207-209 °C(lit.)
Boiling point 364.5±42.0 °C(Predicted)
Density  1.240±0.06 g/cm3(Predicted)
pka 13.06±0.20(Predicted)
form  powder to crystal
color  White to Almost white
InChI 1S/C9H9NOS/c1-6-2-3-7-8(4-6)12-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)
InChIKey ODJQMWDFNLNCTM-UHFFFAOYSA-N
SMILES Cc1ccc2NC(=O)CSc2c1
Comptox DTXSID DTXSID00351049
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H317
Precautionary statements P280
Hazard Codes  Xi
Risk Statements  43
Safety Statements  36/37
WGK Germany  3
HS Code  2934999090
Storage Class 11 - Combustible Solids
Hazard Classifications Skin Sens. 1
NFPA 704:
0
2 0

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7-Methyl-1,4-benzothiazin-3-one Spectrum