76639-93-5

Name Sch 40458
CAS 76639-93-5
Molecular Formula C10H14FNO3S
MDL Number MFCD19704818
Molecular Weight 247.29
MOL File 76639-93-5.mol
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Chemical Properties

Boiling point  488.7±45.0 °C(Predicted)
density  1.313±0.06 g/cm3(Predicted)
form  neat
pka 10.90±0.45(Predicted)
InChI InChI=1/C10H14FNO3S/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(12)6-11/h2-5,9-10,13H,6,12H2,1H3/t9-,10-/s3
InChIKey XLSYLQDVLAXIKK-DPIMBTEZNA-N
SMILES [C@H](C1=CC=C(S(C)(=O)=O)C=C1)(O)[C@H](N)CF |&1:0,12,r|

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P280-P305+P351+P338
WGK Germany  3

Hazard Information

Spectrum Detail

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