Fenoprofen calcium salt hydrate

Chemical Properties

Melting point	>94oC (dec.)
storage temp.	Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility	Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly)
pka	4.5(at 25℃)
color	White to Off-White
Stability	Hygroscopic
Major Application	forensics and toxicology pharmaceutical (small molecule) veterinary
InChI	1S/C15H14O3.Ca.H2O.2H/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;;;;/h2-11H,1H3,(H,16,17);;1H2;;
InChIKey	JWCQUXFJNIIYQZ-UHFFFAOYSA-N
SMILES	O.[Ca].CC(C(O)=O)c1cccc(Oc2ccccc2)c1
CAS DataBase Reference	53746-45-5(CAS DataBase Reference)

Hazard Codes	Xn
Risk Statements	20/21/22
Safety Statements	36
WGK Germany	3
RTECS	CY1678900
HS Code	2918992090
Storage Class	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral
Toxicity	LD50 orally in mice: 800 mg/kg (Emmerson)