40991-34-2

Name 1,2-BENZISOTHIAZOLE-3-CARBOXYLIC ACID
CAS 40991-34-2
EINECS(EC#) 604-604-1
Molecular Formula C8H5NO2S
MDL Number MFCD01658903
Molecular Weight 179.2
MOL File 40991-34-2.mol
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Chemical Properties

Boiling point  279.7±23.0 °C(Predicted)
density  1.508±0.06 g/cm3(Predicted)
storage temp.  2-8°C
pka 0.95±0.10(Predicted)
InChI InChI=1S/C8H5NO2S/c10-8(11)7-5-3-1-2-4-6(5)12-9-7/h1-4H,(H,10,11)
InChIKey KTORKRBAIRTBCP-UHFFFAOYSA-N
SMILES S1C2=C(C=CC=C2)C(C(O)=O)=N1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes  Xn
Risk Statements 

Spectrum Detail

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