8.18308

(-)-Brucine

for resolution of racemates for synthesis

• Synonym(e): (-)-Brucine, 2,3-Dimethoxy strychnine
• Empirische Formel (Hill-System): C₂₃H₂₆N₂O₄
• CAS-Nummer: 357-57-3
• Molekulargewicht: 394.46
• UNSPSC Code: 12352210
• EC Index Number: 206-614-7
• NACRES: NA.22
• MDL number: MFCD00005942

Eigenschaften

• Quality Segment: 200
• mp: 175-178 °C
• solubility: slightly soluble 3.2 g/L
• bulk density: 230 kg/m³
• storage temp.: 2-30°C
• SMILES string: N21[C@@H]3[C@@]4(C5N(c7c4cc(c(c7)OC)OC)C(=O)CC6OCC=C([C@@H]([C@@H]65)C3)C2)CC1
• InChI: 1S/C23H26N2O4/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/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18?,19-,21-,22?,23+/m0/s1
• InChI key: RRKTZKIUPZVBMF-PLNGPGDESA-N

Beschreibung

Analysis Note

Assay (HClO₄): ≥ 98.0 %
Melting range (lower value): ≥ 173 °C
Melting range (upper value): ≤ 178 °C
Spec. rotation [α²0/D (c=1 in ethanol): -86.0 - -80.0 °
Identity (IR): passes test

Sicherheitshinweise

• Piktogramme: GHS06
• Signalwort: Danger
• Gefahrencodes: H300 + H330,H412
• Sicherheitshinweise: P260 - P264 - P271 - P273 - P284 - P304 + P340 + P310
• Hazard Classifications: Acute Tox. 1 Oral - Acute Tox. 2 Inhalation - Aquatic Chronic 3
• Was ist los?: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Lagerklasse: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials