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2-Benzothiazolol Structure

2-Benzothiazolol

Chemical Properties

Melting point 137-140 °C (lit.)
Boiling point 360°C (rough estimate)
Density  1.2170 (rough estimate)
refractive index  1.5500 (estimate)
storage temp.  Keep in dark place,Sealed in dry,Room Temperature
solubility  Chloroform (Slightly, Sonicated), DMSO (Slightly)
form  Solid
pka 10.41±0.20(Predicted)
color  White to Off-White
InChI 1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKey YEDUAINPPJYDJZ-UHFFFAOYSA-N
SMILES Oc1nc2ccccc2s1
LogP 1.760
CAS DataBase Reference 934-34-9(CAS DataBase Reference)
NIST Chemistry Reference 2-Benzothiazolol (keto form)(934-34-9)
EPA Substance Registry System 2(3H)-Benzothiazolone (934-34-9)

Safety Information

Hazard Codes  Xn
Risk Statements  20/21/22
Safety Statements  36
WGK Germany  3
TSCA  TSCA listed
HS Code  29061990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral

MSDS

Usage And Synthesis

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