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CACOTHELINE

CACOTHELINE Structure
CAS No.
561-20-6
Chemical Name:
CACOTHELINE
Synonyms
CACOTHELIN;CACOTHELINE;nitrobrucine;NITROBRUCIQUINONE;Cacotheline Monohydrate;Cacotheline Monohydrate>CacothelineGr(RedoxIndicator);2,3-dihydro-4-nitro-2,3-dioxo-10-secostrychnidin-10-oicacid;2,3-Dihydro-4-nitro-2,3-dioxo-9,10-secostrychinidin-10-oic acid;17-Norcuran-16-propanoic acid, 19,20-didehydro-β,18-epoxy-10,11-dihydro-12-nitro-10,11-dioxo-, (βS,16β)-
CBNumber:
CB0127493
Molecular Formula:
C21H21N3O7
Molecular Weight:
427.41
MOL File:
561-20-6.mol
Modify Date:
2023/6/8 17:06:34

CACOTHELINE 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

Risk and Safety Statements

Symbol(GHS) 
GHS06
Signal word  Danger
Hazard statements  H301+H311+H331
Precautionary statements  P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P403+P233-P405-P501
Safety Statements  22-24/25
RIDADR  2811
HS Code  2939.79.0000
HazardClass  6.1(b)
PackingGroup  III

CACOTHELINE price More Price(2)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TCI Chemicals (India) C0001 Cacotheline Monohydrate 561-20-6 1G ₹3600 2022-05-26 Buy
TCI Chemicals (India) C0001 Cacotheline Monohydrate 561-20-6 5G ₹10500 2022-05-26 Buy
Product number Packaging Price Buy
C0001 1G ₹3600 Buy
C0001 5G ₹10500 Buy

CACOTHELINE Chemical Properties,Uses,Production

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.]

CACOTHELINE Preparation Products And Raw materials

Raw materials

Preparation Products

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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 Cacotheline Monohydrate> 17-Norcuran-16-propanoic acid, 19,20-didehydro-β,18-epoxy-10,11-dihydro-12-nitro-10,11-dioxo-, (βS,16β)- 561-20-6 C21H21N3O7 C21H21N3O7HNO3H2O C21H21N3O7H2O Indole Alkaloids Alkaloids Alkaloids Biochemistry Indole Alkaloids