Cacotheline, GR
Buy Cacotheline, GR (CAS 561-20-6) from Zemixal. Lab and bulk packs, batch COA, fast global delivery. Packs from 1 g. Catalogue no. ZX-000326.
About Cacotheline, GR
Researchers and plant chemists source Cacotheline, GR from Zemixal for routine and specialised work. Identity at a glance (AR): CAS 561-20-6, formula C21H21N3O7 and molar mass 427.4 g/mol. Expect white to yellow and faint orange crystalline or powder.
Use cases we see most often
- Titration end-point detection
- pH determination
- Analytical testing
Safe handling
Classified under GHS with signal word Danger and hazard statements H300+H310+H330, H300, H301 and H310. Read the SDS before first use.
Available as 1 g, 5 g, 25 g and 1 kg. Larger or split packs can be arranged. You receive a batch certificate of analysis and a 16-section SDS with each order. Request pricing online and we confirm availability, documentation and freight to your country.
Typical uses
- Titration end-point detection
- pH determination
- Analytical testing
Applications
Grade guides
Specifications and identifiers
| Product name | Cacotheline, GR |
|---|---|
| Catalogue number | ZX-000326 |
| CAS number | 561-20-6 |
| IUPAC name | 2-[(4S,12S,13R,14S,19R,21S)-9-nitro-7,8-dioxo-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,9,17-trien-14-yl]acetic acid |
| Molecular formula | C21H21N3O7 |
| Molar mass | 427.4 g/mol |
| Exact mass | 427.138 |
| Grade | AR |
| Purity / assay | 95% |
| Physical form | Crystalline |
| Appearance | White to yellow and faint orange crystalline or powder |
| XLogP3 | -3.1 |
| H-bond donors / acceptors | 2 / 9 |
| Topological polar surface area | 142 Ų |
| HS code | 32049000 |
| InChIKey | IVEMPCACOMNRGI-OFDJEBHLSA-N |
| SMILES | C1CN2CC3=CCO[C@H]([C@@H]4[C@H]3C[C@H]2[C@@]15[C@H]4NC6=C(C(=O)C(=O)C=C56)[N+](=O)[O-])CC(=O)O |
| PubChem CID | 68413 |
| Synonyms | 2,3-dihydro-4-nitro-2,3-dioxo-9,10-secostrychnidin-10-oic acid, 9,10-Secostrychnidin-10-oic acid, 2,3-dihydro-4-nitro-2,3-dioxo-, 2,3dihydro4nitro2,3dioxo9,10secostrychnidin10oic acid, 9,10Secostrychnidin10oic acid, 2,3dihydro4nitro2,3dioxo, 9,10Secostrychnidin10oic acid, 2,3dihydro4nitro2,3dioxo (9CI), 9,10-Secostrychnidin-10-oic acid, 2,3-dihydro-4-nitro-2,3-dioxo-(9CI), Cacotheline monohydrate |
Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.
Safety and GHS hazards
Signal word Danger
- H300+H310+H330Fatal if swallowed, in contact with skin or if inhaled
- H300Fatal if swallowed
- H301Toxic if swallowed
- H310Fatal in contact with skin
- H311Toxic in contact with skin
- H330Fatal if inhaled
- H331Toxic if inhaled
- H370Causes damage to organs
- H372Causes damage to organs through prolonged or repeated exposure
- H400Very toxic to aquatic life
- H410Very toxic to aquatic life with long lasting effects
Precautionary statements P260, P261, P262, P264, P270, P271, P273, P280, P284, P301 + P316, P302 + P352, P304 + P340, P308 + P316, P316, P319, P320, P321, P330, P361 + P364, P391, P403 + P233, P405, P501
Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.
Pack sizes
| 1 g | Quoted on request | |
| 5 g | Quoted on request | |
| 25 g | Quoted on request | |
| 1 kg | Quoted on request |
Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.
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