SINIGRIN

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

Symbol(GHS):
Signal word:	Warning
Hazard statements:	Code Hazard statements Hazard class Category Signal word Pictogram P-Codes H302 Harmful if swallowed Acute toxicity,oral Category 4 Warning P264, P270, P301+P312, P330, P501 H315 Causes skin irritation Skin corrosion/irritation Category 2 Warning P264, P280, P302+P352, P321,P332+P313, P362 H319 Causes serious eye irritation Serious eye damage/eye irritation Category 2A Warning P264, P280, P305+P351+P338,P337+P313P H332 Harmful if inhaled Acute toxicity,inhalation Category 4 Warning P261, P271, P304+P340, P312 H335 May cause respiratory irritation Specific target organ toxicity, single exposure;Respiratory tract irritation Category 3 Warning
Precautionary statements:	P280 Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P310 Immediately call a POISON CENTER or doctor/physician.