CAS Number561-20-6
Synonyms4-Nitro-2,3-dioxo-2,3-dihydro-9,10-seco-strychnidin-10-saeure; 2,3-Dihydro-4-nitro-2,3-dioxo-9,10-secostrychinidin-10-oic acid; 4-nitro-2,3-dioxo-2,3-dihydro-9,10-seco-strychnidin-10-oic acid; MFCD00077211; NITROBRUCIQUINONE; CACOTHELIN; EINECS 209-215-6; 2,3-dihydro-4-nitro-2,3-dioxo-10-secostrychnidin-10-oicacid; nitrobrucine; Cacotheline Monohydrate
Molecular FormulaC21H21N3O7
Molecular Weight427.417
Purity98%
Density1.62 g/cm3
Boiling Point695.8ºC at 760 mmHg
AppearanceSolid;Light yellow to Brown powder to crystal
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 561-20-6 |
| Catalog No. | 2A-9009524 |
| Chinese Name | 硝基马钱子碱 |
| Synonyms | 4-Nitro-2,3-dioxo-2,3-dihydro-9,10-seco-strychnidin-10-saeure; 2,3-Dihydro-4-nitro-2,3-dioxo-9,10-secostrychinidin-10-oic acid; 4-nitro-2,3-dioxo-2,3-dihydro-9,10-seco-strychnidin-10-oic acid; MFCD00077211; NITROBRUCIQUINONE; CACOTHELIN; EINECS 209-215-6; 2,3-dihydro-4-nitro-2,3-dioxo-10-secostrychnidin-10-oicacid; nitrobrucine; Cacotheline Monohydrate |
| Molecular Formula | C21H21N3O7 |
| Molecular Weight | 427.417 |
| Purity | 98 |
| Density | 1.62 g/cm3 |
| Boiling Point | 695.8ºC at 760 mmHg |
| Appearance | Solid;Light yellow to Brown powder to crystal |
| Storage Condition | 2. Storage Should be kept sealed. |
| Packaging | III |
| MDL Number | MFCD03939157 |
| SMILES | O=C(O)CC1OCC=C2CN3CCC45C6=CC(=O)C(=O)C([N+](=O)[O-])=C6NC4C1C2CC35 |
| InChI | InChI=1S/C21H21N3O7/c25-12-6-11-17(18(19(12)28)24(29)30)22-20-16-10-5-14-21(11,20)2-3-23(14)8-9(10)1-4-31-13(16)7-15(26)27/h1,6,10,13-14,16,20,22H,2-5,7-8H2,(H,26,27) |
| InChI Key | IVEMPCACOMNRGI-OFDJEBHLSA-N |
| Hazard Symbols | 6.1(b) |
| MSDS | msds/9524_1_561_20_6.pdf |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 United Nations number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special precautions No data available |
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