2086-83-1

Name BERBERINE CHLORIDE
CAS 2086-83-1
EINECS(EC#) 211-195-9
Molecular Formula C20H18ClNO4
MDL Number MFCD00011939
Molecular Weight 371.81
MOL File 2086-83-1.mol

Chemical Properties

Appearance White to yellow crystals. Iinsoluble in water; soluble in ether, alcohol. Salts of berberine are berberine bisulfate, berberine sulfate, and berberine hydrochloride. All three are yellow crystals, slightly soluble in water.
Melting point  204-206 °C (dec.)
Boiling point  486.8°C (rough estimate)
density  1.2976 (rough estimate)
refractive index  1.5800 (estimate)
storage temp.  Inert atmosphere,Room Temperature
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  powder
pka 2.47(at 25℃)
color  White to yellow crystals
Water Solubility  43.48g/L(25 ºC)
InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
InChIKey YBHILYKTIRIUTE-UHFFFAOYSA-N
SMILES O(C1C(=CC=C2C=1C=[N+]1CCC3=CC4OCOC=4C=C3C1=C2)OC)C
LogP -0.990 (est)
CAS DataBase Reference 2086-83-1(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
RIDADR  1544
WGK Germany  2
RTECS  DR9866400
F  3-10
HazardClass  6.1(b)
PackingGroup  III
Toxicity
LD50 orl-mus: 329 mg/kg YKKZAJ 82,726,62

Hazard Information

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