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SINIGRIN Structure

SINIGRIN

  • Product NameSINIGRIN
  • CAS3952-98-5
  • CBNumberCB2333728
  • MFC10H17NO9S2.K
  • MW398.47
  • EINECS223-545-8
  • MDL NumberMFCD00006616
  • MOL File3952-98-5.mol

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

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H302-H315-H319-H332-H335
Precautionary statements  P280-P305+P351+P338-P310
PPE Eyeshields, Gloves, type N95 (US)
Safety Statements  24/25
WGK Germany  3
RTECS  LZ5778000
HS Code  2938909090
Storage Class 11 - Combustible Solids
Hazard Classifications Skin Sens. 1

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SINIGRIN Chemical Properties,Usage,Production

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