3952-98-5

Name SINIGRIN
CAS 3952-98-5
EINECS(EC#) 223-545-8
Molecular Formula C10H16KNO9S2
MDL Number MFCD00006616
Molecular Weight 397.46
MOL File 3952-98-5.mol
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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 Rotation [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 Data

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

Hazard Information

Spectrum Detail

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