68867-17-4

Name Benzothiazole-5-carboxylic acid
CAS 68867-17-4
Molecular Formula C8H5NO2S
MDL Number MFCD06796380
Molecular Weight 179.2
MOL File 68867-17-4.mol

Chemical Properties

Appearance light yellow crystal powder
Melting point  261-262 °C(Solv: water (7732-18-5))
Boiling point  387.7±15.0 °C(Predicted)
density  1.508±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
form  solid
pka 3.57±0.30(Predicted)
color  White
InChI InChI=1S/C8H5NO2S/c10-8(11)5-1-2-7-6(3-5)9-4-12-7/h1-4H,(H,10,11)
InChIKey RBIZQDIIVYJNRS-UHFFFAOYSA-N
SMILES S1C2=CC=C(C(O)=O)C=C2N=C1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
WGK Germany  WGK 3
HS Code  2934208090
Storage Class 11 - Combustible Solids

Hazard Information

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