96345-79-8

Name ALPHA-D-MANNOPYRANOSYLPHENYL ISOTHIOCYANATE
CAS 96345-79-8
Molecular Formula C13H15NO6S
MDL Number MFCD00070374
Molecular Weight 313.33
MOL File 96345-79-8.mol
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Chemical Properties

Appearance White Crystalline Solid
Melting point  180-181°C
Boiling point  577.5±50.0 °C(Predicted)
density  1.56±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly, Heated, Sonicated
form  Solid
pka 12.73±0.70(Predicted)
color  White to Off-White
Stability: Unstable in Solution
InChI InChI=1/C13H15NO6S/c15-5-9-10(16)11(17)12(18)13(20-9)19-8-3-1-7(2-4-8)14-6-21/h1-4,9-13,15-18H,5H2/t9-,10-,11+,12+,13+/s3
InChIKey RWANFUZQWINQBY-HDPSNQDDSA-N
SMILES [C@H]1([C@@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O)OC1C=CC(N=C=S)=CC=1 |&1:0,1,3,4,6,r|
CAS DataBase Reference 96345-79-8

Safety Data

WGK Germany  3
HS Code  29400090

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