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| CAS No.: | 4845-99-2 |
|---|---|
| Name: | BRUCINE SULFATE |
| Molecular Structure: | |
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|
|
| Formula: | C23H26N2O4.1/2H2O4S |
| Molecular Weight: | 443.50 |
| Synonyms: | BRUCINE, SULFATE, HYDRATE;2,3-Dimethoxystrychnidin-10-one;Brucina;Brucine;Brucine, sulfate (2:1);Brucine sulfate;Indole alkaloid;Strychnidin-10-one, 2,3-dimethoxy-;Brucin;Strychnidin-10-one, 2,3-dimethoxy-, sulfate (2:1); |
| EINECS: | 225-432-9 |
| Density: | 1.41 g/cm3 |
| Melting Point: | ~185 °C (dec.)(lit.) |
| Boiling Point: | 633.7oC at 760 mmHg |
| Flash Point: | 337.1oC |
| Solubility: | soluble in water, ethanol and chloroform |
| Appearance: | white needle crystal |
| Hazard Symbols: |
 T+
|
| Risk Codes: | 26/28-52/53 |
| Safety: | 13-45-61 |
| Transport Information: | UN 1544 |
| PSA: | 250.07000 |
| LogP: | 4.20310 |
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Specification
This chemical is called Brucine sulfate, and it can also be named as 2,3-Dimethoxystrychnidin-10-one sulfate (2:1). With the molecular formula of C23H26N2O4.1/2H2O4S, its molecular weight is 443.50. The CAS registry number of this chemical is 4845-99-2. This chemical is white needle crystal. It's soluble in water, ethanol and chloroform. Additionally, it should be sealed in container, away from light.
When you are using this chemical, please be cautious about it as the following: This chemical is very toxic by inhalation and if swallowed. It's harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Keep it away from food, drink and animal foodstuffs. Avoid releasing it to the environment. Refer to special instructions / safety data sheets. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).
You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C23H26N2O4.H2O4S/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-5(2,3)4/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4)
2. Smiles: COc1cc2c(cc1OC)[C@@]13CC[N@@]4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@@H]5C[C@@H]34.OS(O)(=O)=O