Bumetanide , ≥98% , 28395-03-1

Synonym(s):
3-(Aminosulfonyl)-5-(butylamino)-4-phenoxybenzoic acid

CAS NO.：28395-03-1

Empirical Formula: C17H20N2O5S

Molecular Weight: 364.42

MDL number: MFCD00078949

EINECS: 249-004-6

PRODUCT Properties

• 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.
• pka: pK1 3.6, pK2 7.7(at 25℃)
• form: Solid
• 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)

Description and Uses

antineoplastic, alkylating agent

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H335-H319-H315
• Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
• WGK Germany: 3
• RTECS: DG4910000
• HS Code: 2935904000
• Storage Class: 11 - Combustible Solids
• Toxicity: LD50 i.v. in mice: 330 mg/kg (Oestergaard)