CACOTHELINE CAS 561-20-6

Introduction：Basic information about CACOTHELINE CAS 561-20-6, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

CACOTHELINE Basic information

• Product Name: CACOTHELINE
• Synonyms: Cacotheline Monohydrate;2,3-Dihydro-4-nitro-2,3-dioxo-9,10-secostrychinidin-10-oic acid;CACOTHELINE;NITROBRUCIQUINONE;2,3-dihydro-4-nitro-2,3-dioxo-10-secostrychnidin-10-oicacid;CACOTHELIN;CacothelineGr(RedoxIndicator);nitrobrucine
• CAS: 561-20-6
• MF: C21H21N3O7
• MW: 427.41
• EINECS: 209-215-6
• Product Categories: Alkaloids;Biochemistry;Indole Alkaloids
• Mol File: 561-20-6.mol

CACOTHELINE Chemical Properties

• Melting point: >299.85°C
• Boiling point: 542.58°C (rough estimate)
• density: 1.4011 (rough estimate)
• refractive index: 1.6300 (estimate)
• pka: 4.18±0.10(Predicted)
• form: Solid
• color: White to yellow crystal
• Merck: 14,1605
• CAS DataBase Reference: 561-20-6(CAS DataBase Reference)
• EPA Substance Registry System: Cacotheline (561-20-6)

Safety Information

• Safety Statements: 22-24/25
• RIDADR: 2811
• TSCA: TSCA listed
• HS Code: 2939.79.0000
• HazardClass: 6.1(b)
• PackingGroup: III

CACOTHELINE Usage And Synthesis

Uses

Indicator.

Purification Methods

Cacotheline gives yellow crystals from H2O. It is then dried over H2SO4 which gives the dihydrate, and in a vacuum over H2SO4 at 105o it forms the anhydrous compound. The hydrochloride separates as the hydrate (on heating in vacuum at 80o) in orange-yellow prisms or plates, m 250o(dec) and forms a resorcinol complex which gives brown crystals from EtOH, m 325o, and a hydroquinone complex as dark red crystals from EtOH, m 319o. [Leuchs & Leuchs Chem Ber 43 1042 1910, Teuber Chem Ber 86 232, (UV: 242) 1953; complexes: Gallo Gazz Chim Ital 85 1441 1955.] It is used in the titrimetric estimation of Sn2+ ions [Szrvas & Lantos Talanta 10 477 1963]. [Beilstein 27 III/IV 8014.]