Bumetanide

Melting point :230-2310C
Boiling point :571.2±60.0 °C(Predicted)
Density :1.2812 (rough estimate)
refractive index :1.6510 (estimate)
storage temp. :2-8°C
solubility :Practically insoluble in water, soluble in acetone and in alcohol, slightly soluble in methylene chloride. It dissolves in dilute solutions of alkali hydroxides.
form :Solid
pka :pK1 3.6, pK2 7.7(at 25℃)
color :White to Light Yellow
Water Solubility :Soluble in ethanol (10 mg/ml), DMSO (25 mg/ml), acetone, benzene, methanol, propylene glycol, and water (<1 mg/ml).
Major Application :pharmaceutical (small molecule)
InChI :InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)
InChIKey :MAEIEVLCKWDQJH-UHFFFAOYSA-N
SMILES :C(O)(=O)C1=CC(NCCCC)=C(OC2=CC=CC=C2)C(S(N)(=O)=O)=C1
CAS DataBase Reference :28395-03-1(CAS DataBase Reference)
EPA Substance Registry System :Benzoic acid, 3-(aminosulfonyl)-5-(butylamino)-4-phenoxy- (28395-03-1)

Symbol(GHS):
Signal word:	Warning
Hazard statements:	Code Hazard statements Hazard class Category Signal word Pictogram P-Codes 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 H335 May cause respiratory irritation Specific target organ toxicity, single exposure;Respiratory tract irritation Category 3 Warning
Precautionary statements:	P264 Wash hands thoroughly after handling. P264 Wash skin thouroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P302+P352 IF ON SKIN: wash with plenty of soap and water. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P321 Specific treatment (see … on this label). P332+P313 IF SKIN irritation occurs: Get medical advice/attention. P362 Take off contaminated clothing and wash before reuse.