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SINIGRIN Structure

SINIGRIN

Chemical Properties

Melting point 128 (dec.)(lit.)
storage temp.  Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility  DMSO (Slightly), Methanol (Slightly), Water (Slightly)
form  Solid
color  White
biological source plant (Brassica nigra)
optical activity [α]20/D 17±1°, c = 1% in H2O
Water Solubility  almost transparency
Merck  14,8545
Stability Hygroscopic
InChIKey IUBVMJHASFBYGW-WBMBWNLZSA-M
SMILES [K+].[H]O[H].OC[C@H]1O[C@@H](S\C(CC=C)=N\OS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O
LogP 1.049 (est)
CAS DataBase Reference 3952-98-5

Safety Information

Safety Statements  24/25
WGK Germany  3
RTECS  LZ5778000
HS Code  29389090
Storage Class 11 - Combustible Solids
Hazard Classifications Skin Sens. 1

Usage And Synthesis

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